Glycoside
GD140389
Name:
3a,10-dihydroxy-9a,11a-dimethyl-1-(2-oxo-2H-pyran-5-yl)-7-[(3,4,5-trihydroxyoxan-2-yl)oxy]-1H,2H,3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,11H,11aH-cyclopenta[a]phenanthrene-6,11-dioneFormula:
C29H36O11Smiles:
CC12CCC(OC3OCC(O)C(O)C3O)C(=O)C1CCC1C2=C(O)C(=O)C2(C)C(c3ccc(=O)oc3)CCC12OAglycone:
CC12CCC(O)C(=O)C1CCC1C2=C(O)C(=O)C2(C)C(c3ccc(=O)oc3)CCC12OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.69 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 3 |
| MolWt: | 560.6 | Num_heavy_atoms: | 40 |
| TPSA: | 183.96 | NumAromaticRings: | 1 |
Unique Aglycone
AD56609
Formula: C24H28O7
Smiles:
CC12CCC(O)C(=O)C1CCC1C2=C(O)C(=O)C2(C)C(c3ccc(=O)oc3)CCC12O| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.62 |
| AlogP: | 2.41 | Num_rotatable_bonds: | 1 |
| MolWt: | 428.48 | Num_heavy_atoms: | 31 |
| TPSA: | 125.04 | NumAromaticRings: | 1 |
