Glycoside
GD131223
Name:
7-{[5-(acetyloxy)-3-hydroxy-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-9a,11a-dimethyl-1-(2-oxo-2H-pyran-5-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-11-yl acetateFormula:
C40H58O15Smiles:
CC(=O)OC1C(C)OC(OC2CCC3(C)C(CCC4C3CC(OC(C)=O)C3(C)C(c5ccc(=O)oc5)CCC43)C2)C(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
CC(=O)OC1CC2C(CCC3CC(O)CCC32C)C2CCC(c3ccc(=O)oc3)C12CSugarmoiety:
CC(=O)OC1C(C)OC(O)C(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.82 |
| AlogP: | 1.92 | Num_rotatable_bonds: | 8 |
| MolWt: | 778.89 | Num_heavy_atoms: | 55 |
| TPSA: | 220.88 | NumAromaticRings: | 1 |
Unique Aglycone
AD53171
Formula: C26H36O5
Smiles:
CC(=O)OC1CC2C(CCC3CC(O)CCC32C)C2CCC(c3ccc(=O)oc3)C12C| HBA: | 5 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.77 |
| AlogP: | 4.67 | Num_rotatable_bonds: | 2 |
| MolWt: | 428.57 | Num_heavy_atoms: | 31 |
| TPSA: | 76.74 | NumAromaticRings: | 1 |
