Glycoside
GD145765
Name:
16-hydroxy-11-methyl-6-methylidene-12-oxo-17-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-13-oxapentacyclo[9.3.3.1âµ,â¸.0¹,¹â°.0²,â¸]octadecane-9-carboxylic acidFormula:
C26H36O11Smiles:
C=C1CC23CC1CCC2C12COC(=O)C(C)(C(OC4OC(CO)C(O)C(O)C4O)C(O)C1)C2C3C(=O)OAglycone:
C=C1CC23CC1CCC2C12COC(=O)C(C)(C(O)C(O)C1)C2C3C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.85 |
| AlogP: | -0.82 | Num_rotatable_bonds: | 4 |
| MolWt: | 524.56 | Num_heavy_atoms: | 37 |
| TPSA: | 183.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD45364
Formula: C20H26O6
Smiles:
C=C1CC23CC1CCC2C12COC(=O)C(C)(C(O)C(O)C1)C2C3C(=O)O| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 1.35 | Num_rotatable_bonds: | 1 |
| MolWt: | 362.42 | Num_heavy_atoms: | 26 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
