Glycoside
GD132248
Name:
2-{[1-(1-aminoethyl)-9a,11a-dimethyl-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:
C27H45O6NSmiles:
CC(N)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12CAglycone:
CC(N)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.93 |
| AlogP: | 2.1 | Num_rotatable_bonds: | 4 |
| MolWt: | 479.66 | Num_heavy_atoms: | 34 |
| TPSA: | 125.4 | NumAromaticRings: | 0 |
Unique Aglycone
AD53534
Formula: C21H35ON
Smiles:
CC(N)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C| HBA: | 2 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 4.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 317.52 | Num_heavy_atoms: | 23 |
| TPSA: | 46.25 | NumAromaticRings: | 0 |
