Glycoside
...
GD155007

Name:
6-{[11-carboxy-10-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,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}-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:
C48H74O21

Smiles:
CC1OC(OC2C(OC3C(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(C(=O)O)C(O)CC7(C)CCC56C)C4(C)CO)OC(C(=O)O)C(O)C3O)OC(C(=O)O)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC12CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)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: 21 RingCount: 8
HBD: 12 FractionCSP3: 0.9
AlogP: -0.14 Num_rotatable_bonds: 10
MolWt: 987.1 Num_heavy_atoms: 69
TPSA: 349.35 NumAromaticRings: 0

Unique Aglycone
AD59253
Formula: C30H48O5

Smiles:
CC12CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C1CC(C)(C(=O)O)C(O)C2
HBA: 5 RingCount: 5
HBD: 4 FractionCSP3: 0.9
AlogP: 5.18 Num_rotatable_bonds: 2
MolWt: 488.71 Num_heavy_atoms: 35
TPSA: 97.99 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