Glycoside
GD148712
Name:
9a,11a-dimethyl-1-[1-(5-methyl-3,4,5,6-tetrahydropyridin-2-yl)ethyl]-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-hexadecahydro-1H-cyclopenta[a]phenanthren-5-oneFormula:
C33H53O7NSmiles:
CC1CCC(C(C)C2CCC3C4CC(=O)C5CC(OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CCC23C)=NC1Aglycone:
CC1CCC(C(C)C2CCC3C4CC(=O)C5CC(O)CCC5(C)C4CCC23C)=NC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.94 |
| AlogP: | 3.52 | Num_rotatable_bonds: | 5 |
| MolWt: | 575.79 | Num_heavy_atoms: | 41 |
| TPSA: | 128.81 | NumAromaticRings: | 0 |
Unique Aglycone
AD59497
Formula: C27H43O2N
Smiles:
CC1CCC(C(C)C2CCC3C4CC(=O)C5CC(O)CCC5(C)C4CCC23C)=NC1| HBA: | 3 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 5.69 | Num_rotatable_bonds: | 2 |
| MolWt: | 413.65 | Num_heavy_atoms: | 30 |
| TPSA: | 49.66 | NumAromaticRings: | 0 |
