Glycoside
...
GD139610

Name:
6-({9-[({3-[(3,5-dihydroxy-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-4-hydroxy-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)carbonyl]-4-formyl-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl}oxy)-3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid

Formula:
C64H100O32

Smiles:
CC1OC(OC2C(OC(=O)C3CC(C)(C)CC4C5=CCC6C7(C)CCC(OC8OC(C(=O)O)C(O)C(O)C8OC8OC(CO)C(O)C(O)C8O)C(C)(C=O)C7CCC6(C)C5(C)CCC34)OCC(OC3OCC(O)C(O)C3O)C2O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O

Aglycone:
CC1(C)CC(C(=O)O)C2CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC43C)C2C1

Sugarmoiety:
CC1OC(OC2C(O)OCC(OC3OCC(O)C(O)C3O)C2O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O.O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 32 RingCount: 11
HBD: 17 FractionCSP3: 0.92
AlogP: -4.95 Num_rotatable_bonds: 16
MolWt: 1381.47 Num_heavy_atoms: 96
TPSA: 505.88 NumAromaticRings: 0

Unique Aglycone
AD45430
Formula: C30H46O4

Smiles:
CC1(C)CC(C(=O)O)C2CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC43C)C2C1
HBA: 4 RingCount: 5
HBD: 2 FractionCSP3: 0.87
AlogP: 6.27 Num_rotatable_bonds: 2
MolWt: 470.69 Num_heavy_atoms: 34
TPSA: 74.6 NumAromaticRings: 0

Sugarmoiety
SD07160

CC1OC(OC2C(O)OCC(OC3OCC(O)C(O)C3O)C2O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O.O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O