Glycoside
...
GD157091

Name:
6-[(11-carboxy-10-hydroxy-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14b-octadecahydropicen-3-yl)oxy]-5-({6-carboxy-4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-3,4-dihydroxyoxane-2-carboxylic acid

Formula:
C48H72O20

Smiles:
CC1OC(OC2C(OC3C(OC4CCC5(C)C6=CC=C7C8CC(C)(C(=O)O)C(O)CC8(C)CCC7(C)C6(C)CCC5C4(C)C)OC(C(=O)O)C(O)C3O)OC(C(=O)O)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC12CCC3(C)C(=CC=C4C5(C)CCC(O)C(C)(C)C5CCC43C)C1CC(C)(C(=O)O)C(O)C2

Sugarmoiety:
CC1OC(OC2C(OC3C(O)OC(C(=O)O)C(O)C3O)OC(C(=O)O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 8
HBD: 11 FractionCSP3: 0.85
AlogP: 0.81 Num_rotatable_bonds: 9
MolWt: 969.08 Num_heavy_atoms: 68
TPSA: 329.12 NumAromaticRings: 0

Unique Aglycone
AD59819
Formula: C30H46O4

Smiles:
CC12CCC3(C)C(=CC=C4C5(C)CCC(O)C(C)(C)C5CCC43C)C1CC(C)(C(=O)O)C(O)C2
HBA: 4 RingCount: 5
HBD: 3 FractionCSP3: 0.83
AlogP: 6.12 Num_rotatable_bonds: 1
MolWt: 470.69 Num_heavy_atoms: 34
TPSA: 77.76 NumAromaticRings: 0

Sugarmoiety
SD00126

CC1OC(OC2C(OC3C(O)OC(C(=O)O)C(O)C3O)OC(C(=O)O)C(O)C2O)C(O)C(O)C1O