Glycoside

GD039300
Name:
n-[(1r,2r,3r,4s,5s)-4-[(2r,3r,6s)-6-(aminomethyl)-3-azanyl-oxan-2-yl]oxy-5-azanyl-2-[(2r,3r,4r)-5-methyl-4-(methylamino)-3,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]ethanamideFormula:
C21H41O8N5Smiles:
CN[C@@H]1[C@H](O)[C@@H](O[C@H]2[C@H](NC(C)=O)C[C@@H](N)[C@@H](O[C@H]3O[C@H](CN)CC[C@@H]3N)[C@H]2O)OCC1(C)OAglycone:
CC(=O)NC1CC(N)C(OC2OC(CN)CCC2N)C(O)C1OSugarmoiety:
CNC1C(O)C(O)OCC1(C)OOther Identifiers
Properties
HBA: | 13 | RingCount: | 3 |
HBD: | 11 | FractionCSP3: | 0.95 |
AlogP: | -3.8 | Num_rotatable_bonds: | 7 |
MolWt: | 491.59 | Num_heavy_atoms: | 34 |
TPSA: | 216.8 | NumAromaticRings: | 0 |
Unique Aglycone
AD24342
Formula: C14H28O5N4
Smiles:
CC(=O)NC1CC(N)C(OC2OC(CN)CCC2N)C(O)C1OHBA: | 9 | RingCount: | 2 |
HBD: | 9 | FractionCSP3: | 0.93 |
AlogP: | -2.88 | Num_rotatable_bonds: | 4 |
MolWt: | 332.4 | Num_heavy_atoms: | 23 |
TPSA: | 166.08 | NumAromaticRings: | 0 |