Glycoside
GD147130
Name:
2-({2-hydroxy-9a,11a-dimethyl-1-[1-(5-methyl-3,4,5,6-tetrahydropyridin-2-yl)ethyl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C33H53O7NSmiles:
CC1CCC(C(C)C2C(O)CC3C4CC=C5CC(OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CCC32C)=NC1Aglycone:
CC1CCC(C(C)C2C(O)CC3C4CC=C5CC(O)CCC5(C)C4CCC32C)=NC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.91 |
| AlogP: | 3.23 | Num_rotatable_bonds: | 5 |
| MolWt: | 575.79 | Num_heavy_atoms: | 41 |
| TPSA: | 131.97 | NumAromaticRings: | 0 |
Unique Aglycone
AD45575
Formula: C27H43O2N
Smiles:
CC1CCC(C(C)C2C(O)CC3C4CC=C5CC(O)CCC5(C)C4CCC32C)=NC1| HBA: | 3 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.89 |
| AlogP: | 5.4 | Num_rotatable_bonds: | 2 |
| MolWt: | 413.65 | Num_heavy_atoms: | 30 |
| TPSA: | 52.82 | NumAromaticRings: | 0 |
