Glycoside
GD134867
Name:
5-{3a,6,10-trihydroxy-9a,11a-dimethyl-11-oxo-7-[(3,4,5-trihydroxyoxan-2-yl)oxy]-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-2H-pyran-2-oneFormula:
C29H40O11Smiles:
CC12CCC(OC3OCC(O)C(O)C3O)C(O)C1CCC1C2C(O)C(=O)C2(C)C(c3ccc(=O)oc3)CCC12OAglycone:
CC12CCC(O)C(O)C1CCC1C2C(O)C(=O)C2(C)C(c3ccc(=O)oc3)CCC12OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.79 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 3 |
| MolWt: | 564.63 | Num_heavy_atoms: | 40 |
| TPSA: | 187.12 | NumAromaticRings: | 1 |
Unique Aglycone
AD54555
Formula: C24H32O7
Smiles:
CC12CCC(O)C(O)C1CCC1C2C(O)C(=O)C2(C)C(c3ccc(=O)oc3)CCC12O| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 1 |
| MolWt: | 432.51 | Num_heavy_atoms: | 31 |
| TPSA: | 128.2 | NumAromaticRings: | 1 |
