Glycoside
GD153894
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)propanamideFormula:
C21H41O10N5Smiles:
CCC(O)=NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(N)CC1OAglycone:
CCC(O)=NCC1OC(OC2C(N)CC(N)C(O)C2O)C(N)CC1OSugarmoiety:
NC1C(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 14 | FractionCSP3: | 0.95 |
| AlogP: | -4.89 | Num_rotatable_bonds: | 8 |
| MolWt: | 523.58 | Num_heavy_atoms: | 36 |
| TPSA: | 274.74 | NumAromaticRings: | 0 |
Unique Aglycone
AD61167
Formula: C15H30O6N4
Smiles:
CCC(O)=NCC1OC(OC2C(N)CC(N)C(O)C2O)C(N)CC1O| HBA: | 10 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 0.93 |
| AlogP: | -2.68 | Num_rotatable_bonds: | 5 |
| MolWt: | 362.43 | Num_heavy_atoms: | 25 |
| TPSA: | 189.8 | NumAromaticRings: | 0 |
