Glycoside
...
GD122786

Name:
4-{[11-carboxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-9-oxo-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-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-3,6-dihydroxyoxane-2-carboxylic acid

Formula:
C48H74O20

Smiles:
CC1OC(OC2C(OC3C(O)OC(C(=O)O)C(O)C3OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C(=O)O)CC(=O)C6(C)CCC45C)C3(C)CO)OC(CO)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC1(C(=O)O)CC(=O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1

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

Other Identifiers

Properties
HBA: 20 RingCount: 8
HBD: 11 FractionCSP3: 0.9
AlogP: -0.02 Num_rotatable_bonds: 10
MolWt: 971.1 Num_heavy_atoms: 68
TPSA: 329.12 NumAromaticRings: 0

Unique Aglycone
AD45280
Formula: C30H46O5

Smiles:
CC1(C(=O)O)CC(=O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1
HBA: 5 RingCount: 5
HBD: 3 FractionCSP3: 0.87
AlogP: 5.39 Num_rotatable_bonds: 2
MolWt: 486.69 Num_heavy_atoms: 35
TPSA: 94.83 NumAromaticRings: 0

Sugarmoiety
SD01195

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