Glycoside
GD142316
Name:
6-[1-(3a-hydroxy-9a,11a-dimethyl-9-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl)-1-hydroxyethyl]-3-(hydroxymethyl)-4-methyl-5,6-dihydro-2H-pyran-2-oneFormula:
C34H50O12Smiles:
CC1=C(CO)C(=O)OC(C(C)(O)C2CCC3(O)C4CC=C5CC(OC6OC(CO)C(O)C(O)C6O)CC(=O)C5(C)C4CCC23C)C1Aglycone:
CC1=C(CO)C(=O)OC(C(C)(O)C2CCC3(O)C4CC=C5CC(O)CC(=O)C5(C)C4CCC23C)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.82 |
| AlogP: | 0.42 | Num_rotatable_bonds: | 6 |
| MolWt: | 650.76 | Num_heavy_atoms: | 46 |
| TPSA: | 203.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD57276
Formula: C28H40O7
Smiles:
CC1=C(CO)C(=O)OC(C(C)(O)C2CCC3(O)C4CC=C5CC(O)CC(=O)C5(C)C4CCC23C)C1| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.79 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 3 |
| MolWt: | 488.62 | Num_heavy_atoms: | 35 |
| TPSA: | 124.29 | NumAromaticRings: | 0 |
