Glycoside
...
GD130169

Name:
6-{[8a-({[5-(acetyloxy)-3-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-6-methyl-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}carbonyl)-4-formyl-8-hydroxy-4,6a,6b,11,11,12,14b-heptamethyl-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-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylic acid

Formula:
C73H114O37

Smiles:
CC(=O)OC1C(C)OC(OC(=O)C23CCC(C)(C)C(C)C2C2=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C=O)C5CCC4(C)C2(C)CC3O)C(OC2OC(C)C(OC3OCC(O)C(O)C3O)C(O)C2O)C1OC1OC(C)C(O)C(O)C1O

Aglycone:
CC1C2C3=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC4(C)C3(C)CC(O)C2(C(=O)O)CCC1(C)C

Sugarmoiety:
CC(=O)OC1C(C)OC(O)C(OC2OC(C)C(OC3OCC(O)C(O)C3O)C(O)C2O)C1OC1OC(C)C(O)C(O)C1O.O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OCC(O)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 37 RingCount: 12
HBD: 18 FractionCSP3: 0.92
AlogP: -5.14 Num_rotatable_bonds: 18
MolWt: 1583.68 Num_heavy_atoms: 110
TPSA: 570.87 NumAromaticRings: 0

Unique Aglycone
AD52505
Formula: C31H48O5

Smiles:
CC1C2C3=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC4(C)C3(C)CC(O)C2(C(=O)O)CCC1(C)C
HBA: 5 RingCount: 5
HBD: 3 FractionCSP3: 0.87
AlogP: 5.63 Num_rotatable_bonds: 2
MolWt: 500.72 Num_heavy_atoms: 36
TPSA: 94.83 NumAromaticRings: 0

Sugarmoiety
SD06292

CC(=O)OC1C(C)OC(O)C(OC2OC(C)C(OC3OCC(O)C(O)C3O)C(O)C2O)C1OC1OC(C)C(O)C(O)C1O.O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OCC(O)C(O)C2O)C1O