Glycoside
GD114282
Name:
9-({4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-7-hydroxy-1-(7-hydroxy-6-methyl-3-oxoheptan-2-yl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-2-oneFormula:
C38H60O13Smiles:
CC(CO)CCC(=O)C(C)C1C(=O)CC2C3CC=C4CC(O)CC(OC5OCC(O)C(O)C5OC5OC(C)C(O)C(O)C5O)C4(C)C3CCC21CAglycone:
CC(CO)CCC(=O)C(C)C1C(=O)CC2C3CC=C4CC(O)CC(O)C4(C)C3CCC21CSugarmoiety:
CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.89 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 10 |
| MolWt: | 724.89 | Num_heavy_atoms: | 51 |
| TPSA: | 212.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD44955
Formula: C27H42O5
Smiles:
CC(CO)CCC(=O)C(C)C1C(=O)CC2C3CC=C4CC(O)CC(O)C4(C)C3CCC21C| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.85 |
| AlogP: | 3.69 | Num_rotatable_bonds: | 6 |
| MolWt: | 446.63 | Num_heavy_atoms: | 32 |
| TPSA: | 94.83 | NumAromaticRings: | 0 |
