Glycoside
GD119866
Name:
9a,11a-dimethyl-1-[1-(5-methyl-4-oxo-3,4,5,6-tetrahydropyridin-2-yl)ethyl]-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-2-yl acetateFormula:
C35H53O9NSmiles:
CC(=O)OC1CC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC2(C)C1C(C)C1=NCC(C)C(=O)C1Aglycone:
CC(=O)OC1CC2C3CC=C4CC(O)CCC4(C)C3CCC2(C)C1C(C)C1=NCC(C)C(=O)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 2.98 | Num_rotatable_bonds: | 6 |
| MolWt: | 631.81 | Num_heavy_atoms: | 45 |
| TPSA: | 155.11 | NumAromaticRings: | 0 |
Unique Aglycone
AD48094
Formula: C29H43O4N
Smiles:
CC(=O)OC1CC2C3CC=C4CC(O)CCC4(C)C3CCC2(C)C1C(C)C1=NCC(C)C(=O)C1| HBA: | 5 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 5.15 | Num_rotatable_bonds: | 3 |
| MolWt: | 469.67 | Num_heavy_atoms: | 34 |
| TPSA: | 75.96 | NumAromaticRings: | 0 |
