Glycoside
GD120262
Name:
2-({9a,11a-dimethyl-1-[1-(5-methyl-3,4-dihydro-2H-pyrrol-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:
C32H51O6NSmiles:
CC1=NC(C(C)C2CCC3C4CC=C5CC(OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CCC23C)CC1Aglycone:
CC1=NC(C(C)C2CCC3C4CC=C5CC(O)CCC5(C)C4CCC23C)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.91 |
| AlogP: | 4.01 | Num_rotatable_bonds: | 5 |
| MolWt: | 545.76 | Num_heavy_atoms: | 39 |
| TPSA: | 111.74 | NumAromaticRings: | 0 |
Unique Aglycone
AD48288
Formula: C26H41ON
Smiles:
CC1=NC(C(C)C2CCC3C4CC=C5CC(O)CCC5(C)C4CCC23C)CC1| HBA: | 2 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.88 |
| AlogP: | 6.19 | Num_rotatable_bonds: | 2 |
| MolWt: | 383.62 | Num_heavy_atoms: | 28 |
| TPSA: | 32.59 | NumAromaticRings: | 0 |
