Glycoside
GD155724
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1âµ,â¸.0¹,¹â°.0²,â¸]heptadecane-9-carboxylateFormula:
C25H34O11Smiles:
C=C1CC23CC1(O)CCC2C12CCC(O)C(C)(C(=O)O1)C2C3C(=O)OC1OC(CO)C(O)C(O)C1OAglycone:
C=C1CC23CC1(O)CCC2C12CCC(O)C(C)(C(=O)O1)C2C3C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.84 |
| AlogP: | -1.49 | Num_rotatable_bonds: | 3 |
| MolWt: | 510.54 | Num_heavy_atoms: | 36 |
| TPSA: | 183.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD50517
Formula: C19H24O6
Smiles:
C=C1CC23CC1(O)CCC2C12CCC(O)C(C)(C(=O)O1)C2C3C(=O)O| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.79 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 1 |
| MolWt: | 348.4 | Num_heavy_atoms: | 25 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
