Glycoside
GD131816
Name:
3-hydroxy-2-({[2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)propanoic acidFormula:
C9H17O8NSmiles:
O=C(O)C(CO)NCC1(O)OC(CO)C(O)C1OAglycone:
CNC(CO)C(=O)OSugarmoiety:
OCC1OC(O)(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.89 |
| AlogP: | -4.18 | Num_rotatable_bonds: | 6 |
| MolWt: | 267.23 | Num_heavy_atoms: | 18 |
| TPSA: | 159.71 | NumAromaticRings: | 0 |
Unique Aglycone
AD53384
Formula: C4H9O3N
Smiles:
CNC(CO)C(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.75 |
| AlogP: | -1.35 | Num_rotatable_bonds: | 3 |
| MolWt: | 119.12 | Num_heavy_atoms: | 8 |
| TPSA: | 69.56 | NumAromaticRings: | 0 |
