Glycoside
GD131447
Name:
4-{3-hydroxy-7-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-9a,11a-dimethyl-3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}-2,5-dihydrofuran-2-oneFormula:
C30H44O7Smiles:
COC1CC(OC2CCC3(C)C(CCC4C5C(O)C=C(C6=CC(=O)OC6)C5(C)CCC43)C2)OC(C)C1OAglycone:
CC12CCC3C(CCC4CC(O)CCC43C)C1C(O)C=C2C1=CC(=O)OC1Sugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 3.92 | Num_rotatable_bonds: | 4 |
| MolWt: | 516.68 | Num_heavy_atoms: | 37 |
| TPSA: | 94.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD53256
Formula: C23H32O4
Smiles:
CC12CCC3C(CCC4CC(O)CCC43C)C1C(O)C=C2C1=CC(=O)OC1| 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 |
