Glycoside
GD155100
Name:
7-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3a-hydroxy-9a,11a-dimethyl-1-(2-oxo-2H-pyran-5-yl)-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-2-yl acetateFormula:
C38H54O16Smiles:
CC(=O)OC1CC2(O)C3CCC4=CC(OC5OC(CO)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5O)CCC4(C)C3CCC2(C)C1c1ccc(=O)oc1Aglycone:
CC(=O)OC1CC2(O)C3CCC4=CC(O)CCC4(C)C3CCC2(C)C1c1ccc(=O)oc1Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.79 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 8 |
| MolWt: | 766.83 | Num_heavy_atoms: | 54 |
| TPSA: | 255.27 | NumAromaticRings: | 1 |
Unique Aglycone
AD60010
Formula: C26H34O6
Smiles:
CC(=O)OC1CC2(O)C3CCC4=CC(O)CCC4(C)C3CCC2(C)C1c1ccc(=O)oc1| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.69 |
| AlogP: | 3.7 | Num_rotatable_bonds: | 2 |
| MolWt: | 442.55 | Num_heavy_atoms: | 32 |
| TPSA: | 96.97 | NumAromaticRings: | 1 |
