Glycoside
GD142545
Name:
1-hydroxy-3-{[2-(3-hydroxypropyl)cyclohexyl]methyl}-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4a,9,9a,10-tetrahydroanthracene-9,10-dioneFormula:
C30H38O10Smiles:
O=C1c2cccc(OC3OC(CO)C(O)C(O)C3O)c2C(=O)C2C(O)=CC(CC3CCCCC3CCCO)=CC12Aglycone:
O=C1c2cccc(O)c2C(=O)C2C(O)=CC(CC3CCCCC3CCCO)=CC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.6 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 8 |
| MolWt: | 558.62 | Num_heavy_atoms: | 40 |
| TPSA: | 173.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD57356
Formula: C24H28O5
Smiles:
O=C1c2cccc(O)c2C(=O)C2C(O)=CC(CC3CCCCC3CCCO)=CC12| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 4.35 | Num_rotatable_bonds: | 5 |
| MolWt: | 396.48 | Num_heavy_atoms: | 29 |
| TPSA: | 94.83 | NumAromaticRings: | 1 |
