Glycoside
GD121601
Name:
2-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 2-amino-3-hydroxybutanoateFormula:
C16H29O13NSmiles:
CC(O)C(N)C(=O)OC1C(OC2(CO)OC(CO)C(O)C2O)OC(CO)C(O)C1OAglycone:
CC(O)C(N)C(=O)OSugarmoiety:
OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 0.94 |
| AlogP: | -6.14 | Num_rotatable_bonds: | 8 |
| MolWt: | 443.4 | Num_heavy_atoms: | 30 |
| TPSA: | 241.85 | NumAromaticRings: | 0 |
Unique Aglycone
AD02859
Formula: C4H9O3N
Smiles:
CC(O)C(N)C(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | -1.22 | Num_rotatable_bonds: | 2 |
| MolWt: | 119.12 | Num_heavy_atoms: | 8 |
| TPSA: | 83.55 | NumAromaticRings: | 0 |
