Glycoside
GD138832
Name:
3a-hydroxy-9a,9b,11a-trimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-hexadecahydro-1H-cyclopenta[a]phenanthren-2-yl acetateFormula:
C32H48O10Smiles:
CC(=O)OC1CC2(O)C3CCC4CC(OC5OC(C)C(O)C(O)C5O)CCC4(C)C3(C)CCC2(C)C1C1=CC(=O)OC1Aglycone:
CC(=O)OC1CC2(O)C3CCC4CC(O)CCC4(C)C3(C)CCC2(C)C1C1=CC(=O)OC1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.88 |
| AlogP: | 2.39 | Num_rotatable_bonds: | 4 |
| MolWt: | 592.73 | Num_heavy_atoms: | 42 |
| TPSA: | 151.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD56012
Formula: C26H38O6
Smiles:
CC(=O)OC1CC2(O)C3CCC4CC(O)CCC4(C)C3(C)CCC2(C)C1C1=CC(=O)OC1| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.85 |
| AlogP: | 3.54 | Num_rotatable_bonds: | 2 |
| MolWt: | 446.58 | Num_heavy_atoms: | 32 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
