Glycoside
GD117587
Name:
N-({5-amino-6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3-hydroxyoxan-2-yl}methyl)carbamimidic acidFormula:
C19H38O10N6Smiles:
N=C(O)NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(N)CC1OAglycone:
N=C(O)NCC1OC(OC2C(N)CC(N)C(O)C2O)C(N)CC1OSugarmoiety:
NC1C(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 16 | FractionCSP3: | 0.95 |
| AlogP: | -6.17 | Num_rotatable_bonds: | 7 |
| MolWt: | 510.55 | Num_heavy_atoms: | 35 |
| TPSA: | 298.26 | NumAromaticRings: | 0 |
Unique Aglycone
AD46901
Formula: C13H27O6N5
Smiles:
N=C(O)NCC1OC(OC2C(N)CC(N)C(O)C2O)C(N)CC1O| HBA: | 11 | RingCount: | 2 |
| HBD: | 12 | FractionCSP3: | 0.92 |
| AlogP: | -3.96 | Num_rotatable_bonds: | 4 |
| MolWt: | 349.39 | Num_heavy_atoms: | 24 |
| TPSA: | 213.32 | NumAromaticRings: | 0 |
