Glycoside
GD155409
Name:
2-{[3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-1H,2H,3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-3-(acetyloxy)-6-(hydroxymethyl)-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-4-yl acetateFormula:
C38H54O15Smiles:
CC(=O)OC1C(OC2CCC3(C)C(CCC4C3C=CC3(C)C(C5=CC(=O)OC5)CCC43O)C2)OC(CO)C(OC2OCC(O)C(O)C2O)C1OC(C)=OAglycone:
CC12CCC(O)CC1CCC1C2C=CC2(C)C(C3=CC(=O)OC3)CCC12OSugarmoiety:
CC(=O)OC1C(O)OC(CO)C(OC2OCC(O)C(O)C2O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.82 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 8 |
| MolWt: | 750.84 | Num_heavy_atoms: | 53 |
| TPSA: | 216.97 | NumAromaticRings: | 0 |
Unique Aglycone
AD56701
Formula: C23H32O4
Smiles:
CC12CCC(O)CC1CCC1C2C=CC2(C)C(C3=CC(=O)OC3)CCC12O| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.78 |
| AlogP: | 3.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 372.51 | Num_heavy_atoms: | 27 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
