beta-D-Glucopyranosyl beta-D-galactopyranosyl-(1->3)-[beta-D-xylopyranosyl-(1->2)]-1-C-[(8xi,9xi,14xi,15beta,22xi,25R)-2,15-dihydroxyspirostan-3-yl]-alpha-L-altropyranoside
[CAS# 73205-29-5]

Identification

• Name: beta-D-Glucopyranosyl beta-D-galactopyranosyl-(1->3)-[beta-D-xylopyranosyl-(1->2)]-1-C-[(8xi,9xi,14xi,15beta,22xi,25R)-2,15-dihydroxyspirostan-3-yl]-alpha-L-altropyranoside
• Synonyms: Desglucodigitonin; Digitonin, desgluco-
• Molecular Formula: C₅₀H₈₂O₂₄
• Molecular Weight: 1067.17
• CAS Registry Number: 73205-29-5
• SMILES: O[C@@H]%10[C@@H](O)[C@H](O)CO[C@H]%10O[C@@H]3[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@@H](O)[C@@H](O[C@]3(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C9C(O)C[C@@]8(C)C(CCC6C8CC[C@@]7([C@@H]5[C@@H](OC4(OC[C@@H](CC4)C)[C@H]5C)[C@@H](O)C67)C)C9)CO
• InChI: 1S/C50H82O24/c1-18-7-10-49(67-16-18)19(2)29-41(73-49)35(60)30-21-6-5-20-11-23(24(54)12-48(20,4)22(21)8-9-47(29,30)3)50(74-46-40(65)37(62)33(58)27(14-52)69-46)43(71-44-38(63)31(56)25(55)17-66-44)42(34(59)28(15-53)72-50)70-45-39(64)36(61)32(57)26(13-51)68-45/h18-46,51-65H,5-17H2,1-4H3/t18-,19+,20?,21?,22?,23?,24?,25-,26-,27-,28+,29+,30?,31+,32+,33-,34+,35+,36+,37+,38-,39-,40-,41-,42+,43-,44+,45+,46+,47-,48+,49?,50+/m1/s1
• InChIKey: UQXYFHWTJCVQDS-DBXQGTFUSA-N

Properties

• Density: 1.567g/cm³ (Cal.)