Glycoside
...
GD141480

Name:
6-[(6-carboxy-4,5-dihydroxy-2-{[9-hydroxy-4-(hydroxymethyl)-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}oxan-3-yl)oxy]-3,4-dihydroxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxane-2-carboxylic acid

Formula:
C47H74O19

Smiles:
CC1OC(OC2C(OC3C(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(C)CC(O)C7CCC56C)C4(C)CO)OC(C(=O)O)C(O)C3O)OC(C(=O)O)C(O)C2O)C(O)C(O)C1O

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

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: 19 RingCount: 8
HBD: 11 FractionCSP3: 0.91
AlogP: 0.41 Num_rotatable_bonds: 9
MolWt: 943.09 Num_heavy_atoms: 66
TPSA: 312.05 NumAromaticRings: 0

Unique Aglycone
AD56991
Formula: C29H48O3

Smiles:
CC1(C)CC(O)C2CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1
HBA: 3 RingCount: 5
HBD: 3 FractionCSP3: 0.93
AlogP: 5.72 Num_rotatable_bonds: 1
MolWt: 444.7 Num_heavy_atoms: 32
TPSA: 60.69 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