Glycoside
GD128392
Name:
4-amino-N-{5-amino-4-[(3-amino-6-{[(2-hydroxyethyl)amino]methyl}-3,4-dihydro-2H-pyran-2-yl)oxy]-2-{[3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy}-3-hydroxycyclohexyl}-2-hydroxybutanamideFormula:
C25H48O10N6Smiles:
CNC1C(O)C(OC2C(N=C(O)C(O)CCN)CC(N)C(OC3OC(CNCCO)=CCC3N)C2O)OCC1(C)OAglycone:
NCCC(O)C(O)=NC1CC(N)C(OC2OC(CNCCO)=CCC2N)C(O)C1OSugarmoiety:
CNC1C(O)C(O)OCC1(C)OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 14 | FractionCSP3: | 0.88 |
| AlogP: | -4.52 | Num_rotatable_bonds: | 13 |
| MolWt: | 592.69 | Num_heavy_atoms: | 41 |
| TPSA: | 272.78 | NumAromaticRings: | 0 |
Unique Aglycone
AD52002
Formula: C18H35O7N5
Smiles:
NCCC(O)C(O)=NC1CC(N)C(OC2OC(CNCCO)=CCC2N)C(O)C1O| HBA: | 12 | RingCount: | 2 |
| HBD: | 12 | FractionCSP3: | 0.83 |
| AlogP: | -3.6 | Num_rotatable_bonds: | 10 |
| MolWt: | 433.51 | Num_heavy_atoms: | 30 |
| TPSA: | 222.06 | NumAromaticRings: | 0 |
