Glycoside

GD120292
Name:
2-(methoxycarbonyl)-2,6a,6b,9,9,12a-hexamethyl-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acidFormula:
C37H58O10Smiles:
COC(=O)C1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1Aglycone:
COC(=O)C1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 10 | RingCount: | 6 |
HBD: | 5 | FractionCSP3: | 0.89 |
AlogP: | 4.21 | Num_rotatable_bonds: | 5 |
MolWt: | 662.86 | Num_heavy_atoms: | 47 |
TPSA: | 162.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD22932
Formula: C31H48O5
Smiles:
COC(=O)C1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1HBA: | 5 | RingCount: | 5 |
HBD: | 2 | FractionCSP3: | 0.87 |
AlogP: | 6.39 | Num_rotatable_bonds: | 2 |
MolWt: | 500.72 | Num_heavy_atoms: | 36 |
TPSA: | 83.83 | NumAromaticRings: | 0 |