Glycoside
GD147955
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]phenanthren-2-yl 3-methylbutanoateFormula:
C35H54O9Smiles:
COC1CC(OC2CCC3(C)C(CCC4C3CCC3(C)C(C5=CC(=O)OC5)C(OC(=O)CC(C)C)CC43O)C2)OC(C)C1OAglycone:
CC(C)CC(=O)OC1CC2(O)C3CCC4CC(O)CCC4(C)C3CCC2(C)C1C1=CC(=O)OC1Sugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.89 |
| AlogP: | 4.71 | Num_rotatable_bonds: | 7 |
| MolWt: | 618.81 | Num_heavy_atoms: | 44 |
| TPSA: | 120.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD59226
Formula: C28H42O6
Smiles:
CC(C)CC(=O)OC1CC2(O)C3CCC4CC(O)CCC4(C)C3CCC2(C)C1C1=CC(=O)OC1| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 4.17 | Num_rotatable_bonds: | 4 |
| MolWt: | 474.64 | Num_heavy_atoms: | 34 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
