Glycoside
...
GD119996

Name:
6-{[8a-carboxy-6b-cyclopentyl-9-(methoxymethyl)-4,4,6a,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}-3,4,5-trihydroxyoxane-2-carboxylic acid

Formula:
C42H66O10

Smiles:
COCC1CC(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C3CCCC3)CCC12C(=O)O

Aglycone:
COCC1CC(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C3CCCC3)CCC12C(=O)O

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

Other Identifiers

Properties
HBA: 10 RingCount: 7
HBD: 5 FractionCSP3: 0.9
AlogP: 6.19 Num_rotatable_bonds: 7
MolWt: 730.98 Num_heavy_atoms: 52
TPSA: 162.98 NumAromaticRings: 0

Unique Aglycone
AD48157
Formula: C36H58O4

Smiles:
COCC1CC(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C3CCCC3)CCC12C(=O)O
HBA: 4 RingCount: 6
HBD: 2 FractionCSP3: 0.92
AlogP: 8.28 Num_rotatable_bonds: 4
MolWt: 554.86 Num_heavy_atoms: 40
TPSA: 66.76 NumAromaticRings: 0

Sugarmoiety
SD00030

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