Glycoside
GD153233
Name:
4-{3a-hydroxy-7-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-9a,11a-dimethyl-11-oxo-1H,2H,3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,11H,11aH-cyclopenta[a]phenanthren-1-yl}-2,5-dihydrofuran-2-oneFormula:
C30H42O8Smiles:
COC1CC(OC2CCC3(C)C4=CC(=O)C5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3C2)OC(C)C1OAglycone:
CC12CCC(O)CC1CCC1C2=CC(=O)C2(C)C(C3=CC(=O)OC3)CCC12OSugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 3.24 | Num_rotatable_bonds: | 4 |
| MolWt: | 530.66 | Num_heavy_atoms: | 38 |
| TPSA: | 111.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD60960
Formula: C23H30O5
Smiles:
CC12CCC(O)CC1CCC1C2=CC(=O)C2(C)C(C3=CC(=O)OC3)CCC12O| HBA: | 5 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.74 |
| AlogP: | 2.7 | Num_rotatable_bonds: | 1 |
| MolWt: | 386.49 | Num_heavy_atoms: | 28 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
