Glycoside
GD117369
Name:
6-(1-{9a,11a-dimethyl-9-oxo-1H,2H,3H,3aH,3bH,4H,6H,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:
C34H48O9Smiles:
CC1=C(COC2OC(CO)C(O)C(O)C2O)C(=O)OC(C(C)C2CCC3C4CC=C5CC=CC(=O)C5(C)C4CCC23C)C1Aglycone:
CC1=C(CO)C(=O)OC(C(C)C2CCC3C4CC=C5CC=CC(=O)C5(C)C4CCC23C)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.76 |
| AlogP: | 3.0 | Num_rotatable_bonds: | 6 |
| MolWt: | 600.75 | Num_heavy_atoms: | 43 |
| TPSA: | 142.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD46781
Formula: C28H38O4
Smiles:
CC1=C(CO)C(=O)OC(C(C)C2CCC3C4CC=C5CC=CC(=O)C5(C)C4CCC23C)C1| HBA: | 4 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.71 |
| AlogP: | 5.17 | Num_rotatable_bonds: | 3 |
| MolWt: | 438.61 | Num_heavy_atoms: | 32 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
