Glycoside
GD148129
Name:
5-(5-acetyl-7-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3a,3b-dihydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl)-2H-pyran-2-oneFormula:
C38H54O16Smiles:
CC(=O)C1CC2(O)C(CCC3(C)C(c4ccc(=O)oc4)CCC32O)C2(C)CCC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C=C12Aglycone:
CC(=O)C1CC2(O)C(CCC3(C)C(c4ccc(=O)oc4)CCC32O)C2(C)CCC(O)C=C12Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.79 |
| AlogP: | -1.26 | Num_rotatable_bonds: | 8 |
| MolWt: | 766.83 | Num_heavy_atoms: | 54 |
| TPSA: | 266.27 | NumAromaticRings: | 1 |
Unique Aglycone
AD59289
Formula: C26H34O6
Smiles:
CC(=O)C1CC2(O)C(CCC3(C)C(c4ccc(=O)oc4)CCC32O)C2(C)CCC(O)C=C12| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.69 |
| AlogP: | 3.09 | Num_rotatable_bonds: | 2 |
| MolWt: | 442.55 | Num_heavy_atoms: | 32 |
| TPSA: | 107.97 | NumAromaticRings: | 1 |
