Glycoside

GD119347
Name:
2-({2-hydroxy-1-[1-(5-hydroxy-1,5-dimethylpiperidin-2-yl)ethyl]-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:
C34H57O8NSmiles:
CC(C1CCC(C)(O)CN1C)C1C(O)CC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC21CAglycone:
CC(C1CCC(C)(O)CN1C)C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 9 | RingCount: | 6 |
HBD: | 6 | FractionCSP3: | 0.94 |
AlogP: | 2.2 | Num_rotatable_bonds: | 5 |
MolWt: | 607.83 | Num_heavy_atoms: | 43 |
TPSA: | 143.08 | NumAromaticRings: | 0 |
Unique Aglycone
AD47797
Formula: C28H47O3N
Smiles:
CC(C1CCC(C)(O)CN1C)C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21CHBA: | 4 | RingCount: | 5 |
HBD: | 3 | FractionCSP3: | 0.93 |
AlogP: | 4.38 | Num_rotatable_bonds: | 2 |
MolWt: | 445.69 | Num_heavy_atoms: | 32 |
TPSA: | 63.93 | NumAromaticRings: | 0 |