Glycoside
...
GD158290

Name:
6-{[8a-carboxy-9-(methoxymethyl)-4,4,6a,11,11,14b-hexamethyl-6b-(3-oxopropyl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

Formula:
C40H62O11

Smiles:
COCC1CC(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(CCC=O)CCC12C(=O)O

Aglycone:
COCC1CC(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(CCC=O)CCC12C(=O)O

Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 6
HBD: 5 FractionCSP3: 0.88
AlogP: 4.98 Num_rotatable_bonds: 9
MolWt: 718.92 Num_heavy_atoms: 51
TPSA: 180.05 NumAromaticRings: 0

Unique Aglycone
AD62497
Formula: C34H54O5

Smiles:
COCC1CC(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(CCC=O)CCC12C(=O)O
HBA: 5 RingCount: 5
HBD: 2 FractionCSP3: 0.88
AlogP: 7.07 Num_rotatable_bonds: 6
MolWt: 542.8 Num_heavy_atoms: 39
TPSA: 83.83 NumAromaticRings: 0

Sugarmoiety
SD00030

O=C(O)C1OC(O)C(O)C(O)C1O