Glycoside
GD140587
Name:
2-[(4,6-diamino-3-{[6-(1-aminoethyl)-3-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-5-methyl-4-(methylamino)oxane-3,5-diolFormula:
C20H40O8N4Smiles:
CNC1C(O)C(OC2C(N)CC(N)C(OC3OC(C(C)N)CCC3O)C2O)OCC1(C)OAglycone:
CC(N)C1CCC(O)C(OC2C(N)CC(N)C(O)C2O)O1Sugarmoiety:
CNC1C(O)C(O)OCC1(C)OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 1.0 |
| AlogP: | -3.55 | Num_rotatable_bonds: | 6 |
| MolWt: | 464.56 | Num_heavy_atoms: | 32 |
| TPSA: | 207.93 | NumAromaticRings: | 0 |
Unique Aglycone
AD56685
Formula: C13H27O5N3
Smiles:
CC(N)C1CCC(O)C(OC2C(N)CC(N)C(O)C2O)O1| HBA: | 8 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | -2.64 | Num_rotatable_bonds: | 3 |
| MolWt: | 305.38 | Num_heavy_atoms: | 21 |
| TPSA: | 157.21 | NumAromaticRings: | 0 |
