Glycoside
GD119463
Name:
4-{3a,10-dihydroxy-7-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-9a,11a-dimethyl-11-oxo-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-2,5-dihydrofuran-2-oneFormula:
C30H44O9Smiles:
COC1CC(OC2CCC3(C)C(CCC4C3C(O)C(=O)C3(C)C(C5=CC(=O)OC5)CCC43O)C2)OC(C)C1OAglycone:
CC12CCC(O)CC1CCC1C2C(O)C(=O)C2(C)C(C3=CC(=O)OC3)CCC12OSugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 4 |
| MolWt: | 548.67 | Num_heavy_atoms: | 39 |
| TPSA: | 131.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD47867
Formula: C23H32O6
Smiles:
CC12CCC(O)CC1CCC1C2C(O)C(=O)C2(C)C(C3=CC(=O)OC3)CCC12O| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 1 |
| MolWt: | 404.5 | Num_heavy_atoms: | 29 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
