Glycoside
GD132994
Name:
2-{[2-(1-{3-hydroxy-10,11b-dimethyl-1H,2H,3H,4H,6H,6aH,6bH,7H,8H,11aH,11bH-cyclohexa[a]fluoren-9-yl}ethyl)-5-methylpiperidin-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C33H51O7NSmiles:
CC1=C(C(C)C2NCC(C)CC2OC2OC(CO)C(O)C(O)C2O)CCC2C1=CC1C2CC=C2CC(O)CCC21CAglycone:
CC1=C(C(C)C2NCC(C)CC2O)CCC2C1=CC1C2CC=C2CC(O)CCC21CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.82 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 5 |
| MolWt: | 573.77 | Num_heavy_atoms: | 41 |
| TPSA: | 131.64 | NumAromaticRings: | 0 |
Unique Aglycone
AD53841
Formula: C27H41O2N
Smiles:
CC1=C(C(C)C2NCC(C)CC2O)CCC2C1=CC1C2CC=C2CC(O)CCC21C| HBA: | 3 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.78 |
| AlogP: | 4.76 | Num_rotatable_bonds: | 2 |
| MolWt: | 411.63 | Num_heavy_atoms: | 30 |
| TPSA: | 52.49 | NumAromaticRings: | 0 |
