Glycoside
GD139853
Name:
2-({9a,11a-dimethyl-2-[1-(5-methylpiperidin-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:
C33H55O6NSmiles:
CC1CCC(C(C)C2CC3C4CC=C5CC(OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C2)NC1Aglycone:
CC1CCC(C(C)C2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C2)NC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.94 |
| AlogP: | 3.77 | Num_rotatable_bonds: | 5 |
| MolWt: | 561.8 | Num_heavy_atoms: | 40 |
| TPSA: | 111.41 | NumAromaticRings: | 0 |
Unique Aglycone
AD56402
Formula: C27H45ON
Smiles:
CC1CCC(C(C)C2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C2)NC1| HBA: | 2 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 5.95 | Num_rotatable_bonds: | 2 |
| MolWt: | 399.66 | Num_heavy_atoms: | 29 |
| TPSA: | 32.26 | NumAromaticRings: | 0 |
