Glycoside
GD119753
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 5,17-dihydroxy-11-methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.1âµ,â¸.0¹,¹â°.0²,â¸]octadecane-9-carboxylateFormula:
C26H36O11Smiles:
C=C1CC23CC1(O)CCC2C12CCC(O)C(C)(C(=O)OC1)C2C3C(=O)OC1OC(CO)C(O)C(O)C1OAglycone:
C=C1CC23CC1(O)CCC2C12CCC(O)C(C)(C(=O)OC1)C2C3C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.85 |
| AlogP: | -1.24 | Num_rotatable_bonds: | 3 |
| MolWt: | 524.56 | Num_heavy_atoms: | 37 |
| TPSA: | 183.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD48035
Formula: C20H26O6
Smiles:
C=C1CC23CC1(O)CCC2C12CCC(O)C(C)(C(=O)OC1)C2C3C(=O)O| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 362.42 | Num_heavy_atoms: | 26 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
