Glycoside
GD131509
Name:
4-{9a,11a-dimethyl-7-[(3,4,5-trihydroxyoxan-2-yl)oxy]-3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}-2,5-dihydrofuran-2-oneFormula:
C28H38O7Smiles:
CC12CCC3C(CCC4CC(OC5OCC(O)C(O)C5O)CCC43C)C1=CC=C2C1=CC(=O)OC1Aglycone:
CC12CCC3C(CCC4CC(O)CCC43C)C1=CC=C2C1=CC(=O)OC1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.75 |
| AlogP: | 2.79 | Num_rotatable_bonds: | 3 |
| MolWt: | 486.61 | Num_heavy_atoms: | 35 |
| TPSA: | 105.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD50225
Formula: C23H30O3
Smiles:
CC12CCC3C(CCC4CC(O)CCC43C)C1=CC=C2C1=CC(=O)OC1| HBA: | 3 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.7 |
| AlogP: | 4.33 | Num_rotatable_bonds: | 1 |
| MolWt: | 354.49 | Num_heavy_atoms: | 26 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
