Glycoside
GD114756
Name:
2-[1-(1,5-dimethylpiperidin-2-yl)ethyl]-9a,11a-dimethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-hexadecahydro-1H-cyclopenta[a]phenanthren-5-oneFormula:
C34H57O7NSmiles:
CC1CCC(C(C)C2CC3C4CC(=O)C5CC(OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C2)N(C)C1Aglycone:
CC1CCC(C(C)C2CC3C4CC(=O)C5CC(O)CCC5(C)C4CCC3(C)C2)N(C)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.97 |
| AlogP: | 3.38 | Num_rotatable_bonds: | 5 |
| MolWt: | 591.83 | Num_heavy_atoms: | 42 |
| TPSA: | 119.69 | NumAromaticRings: | 0 |
Unique Aglycone
AD45263
Formula: C28H47O2N
Smiles:
CC1CCC(C(C)C2CC3C4CC(=O)C5CC(O)CCC5(C)C4CCC3(C)C2)N(C)C1| HBA: | 3 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.96 |
| AlogP: | 5.55 | Num_rotatable_bonds: | 2 |
| MolWt: | 429.69 | Num_heavy_atoms: | 31 |
| TPSA: | 40.54 | NumAromaticRings: | 0 |
