Glycoside
GD142529
Name:
9-[1-(1,5-dimethylpiperidin-2-yl)ethyl]-10,11b-dimethyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,4H,4aH,5H,6H,6aH,6bH,7H,8H,9H,11H,11aH,11bH-cyclohexa[a]fluoren-5-oneFormula:
C34H55O7NSmiles:
CC1=C2CC3C(CC(=O)C4CC(OC5OC(CO)C(O)C(O)C5O)CCC43C)C2CCC1C(C)C1CCC(C)CN1CAglycone:
CC1=C2CC3C(CC(=O)C4CC(O)CCC43C)C2CCC1C(C)C1CCC(C)CN1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.91 |
| AlogP: | 3.3 | Num_rotatable_bonds: | 5 |
| MolWt: | 589.81 | Num_heavy_atoms: | 42 |
| TPSA: | 119.69 | NumAromaticRings: | 0 |
Unique Aglycone
AD57352
Formula: C28H45O2N
Smiles:
CC1=C2CC3C(CC(=O)C4CC(O)CCC43C)C2CCC1C(C)C1CCC(C)CN1C| HBA: | 3 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.89 |
| AlogP: | 5.47 | Num_rotatable_bonds: | 2 |
| MolWt: | 427.67 | Num_heavy_atoms: | 31 |
| TPSA: | 40.54 | NumAromaticRings: | 0 |
