Glycoside
GD150956
Name:
3a-hydroxy-7-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-9a,11a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthrene-10,11-dioneFormula:
C30H42O9Smiles:
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: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 2.5 | Num_rotatable_bonds: | 4 |
| MolWt: | 546.66 | Num_heavy_atoms: | 39 |
| TPSA: | 128.59 | NumAromaticRings: | 0 |
Unique Aglycone
AD60253
Formula: C23H30O6
Smiles:
CC12CCC(O)CC1CCC1C2C(=O)C(=O)C2(C)C(C3=CC(=O)OC3)CCC12O| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.78 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 1 |
| MolWt: | 402.49 | Num_heavy_atoms: | 29 |
| TPSA: | 100.9 | NumAromaticRings: | 0 |
