Glycoside
GD119308
Name:
7-{[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-12,18-dihydroxy-10,14-dimethyl-15-(5-oxo-2,5-dihydrofuran-2-yl)-2-oxapentacyclo[9.7.0.0¹,³.0âµ,¹â°.0¹â´,¹â¸]octadecan-13-oneFormula:
C29H40O11Smiles:
CC12CCC(OC3CC(O)C(O)C(CO)O3)CC1CC1OC13C2C(O)C(=O)C1(C)C(C2C=CC(=O)O2)CCC13OAglycone:
CC12CCC(O)CC1CC1OC13C2C(O)C(=O)C1(C)C(C2C=CC(=O)O2)CCC13OSugarmoiety:
OCC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.86 |
| AlogP: | -0.26 | Num_rotatable_bonds: | 4 |
| MolWt: | 564.63 | Num_heavy_atoms: | 40 |
| TPSA: | 175.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD46646
Formula: C23H30O7
Smiles:
CC12CCC(O)CC1CC1OC13C2C(O)C(=O)C1(C)C(C2C=CC(=O)O2)CCC13O| HBA: | 7 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 1 |
| MolWt: | 418.49 | Num_heavy_atoms: | 30 |
| TPSA: | 116.59 | NumAromaticRings: | 0 |
