Glycoside
GD146107
Name:
4,7-dihydroxy-3a,6,6,11a-tetramethyl-1-(6-methyl-5-oxo-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hept-6-en-2-yl)-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-9b-carbaldehydeFormula:
C36H56O10Smiles:
C=C(C)C(=O)C(CC(C)C1CCC2(C)C3C(O)C=C4C(CCC(O)C4(C)C)C3(C=O)CCC12C)OC1OC(CO)C(O)C(O)C1OAglycone:
C=C(C)C(=O)C(O)CC(C)C1CCC2(C)C3C(O)C=C4C(CCC(O)C4(C)C)C3(C=O)CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.83 |
| AlogP: | 2.46 | Num_rotatable_bonds: | 9 |
| MolWt: | 648.83 | Num_heavy_atoms: | 46 |
| TPSA: | 173.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD58609
Formula: C30H46O5
Smiles:
C=C(C)C(=O)C(O)CC(C)C1CCC2(C)C3C(O)C=C4C(CCC(O)C4(C)C)C3(C=O)CCC12C| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 4.63 | Num_rotatable_bonds: | 6 |
| MolWt: | 486.69 | Num_heavy_atoms: | 35 |
| TPSA: | 94.83 | NumAromaticRings: | 0 |
