Glycoside
GD139025
Name:
3a,10-dihydroxy-9a,11a-dimethyl-1-(2-oxo-2H-pyran-5-yl)-7-[(3,4,5-trihydroxyoxan-2-yl)oxy]-hexadecahydro-1H-cyclopenta[a]phenanthrene-6,11-dioneFormula:
C29H38O11Smiles:
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: | 5 | FractionCSP3: | 0.76 |
| AlogP: | 0.03 | Num_rotatable_bonds: | 3 |
| MolWt: | 562.61 | Num_heavy_atoms: | 40 |
| TPSA: | 183.96 | NumAromaticRings: | 1 |
Unique Aglycone
AD56074
Formula: C24H30O7
Smiles:
CC12CCC(O)C(=O)C1CCC1C2C(O)C(=O)C2(C)C(c3ccc(=O)oc3)CCC12O| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.71 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 1 |
| MolWt: | 430.5 | Num_heavy_atoms: | 31 |
| TPSA: | 125.04 | NumAromaticRings: | 1 |
