Glycoside
GD126846
Name:
N-({6-[(4-amino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-formamido-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)formamideFormula:
C20H36O13N4Smiles:
NC1CC(N=CO)C(OC2OC(CN=CO)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1OAglycone:
NC1CC(N=CO)C(O)C(O)C1OSugarmoiety:
NC1C(O)C(O)OC(CO)C1O.OC=NCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 13 | FractionCSP3: | 0.9 |
| AlogP: | -6.04 | Num_rotatable_bonds: | 8 |
| MolWt: | 540.52 | Num_heavy_atoms: | 37 |
| TPSA: | 295.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD51346
Formula: C7H14O4N2
Smiles:
NC1CC(N=CO)C(O)C(O)C1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.86 |
| AlogP: | -2.24 | Num_rotatable_bonds: | 1 |
| MolWt: | 190.2 | Num_heavy_atoms: | 13 |
| TPSA: | 119.3 | NumAromaticRings: | 0 |
