Glycoside
GD128270
Name:
4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8-azabicyclo[3.2.1]octane-1,2,3-triolFormula:
C13H23O9NSmiles:
OCC1OC(OC2C3CCC(O)(N3)C(O)C2O)C(O)C(O)C1OAglycone:
OC1C2CCC(O)(N2)C(O)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | -4.65 | Num_rotatable_bonds: | 3 |
| MolWt: | 337.32 | Num_heavy_atoms: | 23 |
| TPSA: | 172.1 | NumAromaticRings: | 0 |
Unique Aglycone
AD51960
Formula: C7H13O4N
Smiles:
OC1C2CCC(O)(N2)C(O)C1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | -2.48 | Num_rotatable_bonds: | 0 |
| MolWt: | 175.18 | Num_heavy_atoms: | 12 |
| TPSA: | 92.95 | NumAromaticRings: | 0 |
