Glycoside
GD145720
Name:
2-({9a,11a-dimethyl-1-[1-(1-methylazepan-2-yl)ethyl]-1H,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:
C34H55O6NSmiles:
CC(C1CCCCCN1C)C1C=CC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12CAglycone:
CC(C1CCCCCN1C)C1C=CC2C3CC=C4CC(O)CCC4(C)C3CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.88 |
| AlogP: | 4.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 573.82 | Num_heavy_atoms: | 41 |
| TPSA: | 102.62 | NumAromaticRings: | 0 |
Unique Aglycone
AD58473
Formula: C28H45ON
Smiles:
CC(C1CCCCCN1C)C1C=CC2C3CC=C4CC(O)CCC4(C)C3CCC12C| HBA: | 2 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 6.21 | Num_rotatable_bonds: | 2 |
| MolWt: | 411.67 | Num_heavy_atoms: | 30 |
| TPSA: | 23.47 | NumAromaticRings: | 0 |
