Glycoside
GD157310
Name:
6-(1-{4-hydroxy-9a,11a-dimethyl-9-oxo-1H,2H,3H,3aH,3bH,4H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}ethyl)-4-methyl-3-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-5,6-dihydro-2H-pyran-2-oneFormula:
C34H48O10Smiles:
CC1=C(COC2OC(CO)C(O)C(O)C2O)C(=O)OC(C(C)C2CCC3C4C(O)C=C5C=CCC(=O)C5(C)C4CCC23C)C1Aglycone:
CC1=C(CO)C(=O)OC(C(C)C2CCC3C4C(O)C=C5C=CCC(=O)C5(C)C4CCC23C)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.76 |
| AlogP: | 1.97 | Num_rotatable_bonds: | 6 |
| MolWt: | 616.75 | Num_heavy_atoms: | 44 |
| TPSA: | 162.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD62203
Formula: C28H38O5
Smiles:
CC1=C(CO)C(=O)OC(C(C)C2CCC3C4C(O)C=C5C=CCC(=O)C5(C)C4CCC23C)C1| HBA: | 5 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.71 |
| AlogP: | 4.14 | Num_rotatable_bonds: | 3 |
| MolWt: | 454.61 | Num_heavy_atoms: | 33 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
