Glycoside
GD152458
Name:
2-amino-3-methyl-3-[(3,4,5-trihydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)methoxy]butanoic acidFormula:
C17H31O13NSmiles:
CC(C)(OCC1OC(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C(N)C(=O)OAglycone:
COC(C)(C)C(N)C(=O)OSugarmoiety:
OCC1OC(OC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 0.94 |
| AlogP: | -5.18 | Num_rotatable_bonds: | 8 |
| MolWt: | 457.43 | Num_heavy_atoms: | 31 |
| TPSA: | 241.85 | NumAromaticRings: | 0 |
Unique Aglycone
AD60700
Formula: C6H13O3N
Smiles:
COC(C)(C)C(N)C(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | -0.18 | Num_rotatable_bonds: | 3 |
| MolWt: | 147.17 | Num_heavy_atoms: | 10 |
| TPSA: | 72.55 | NumAromaticRings: | 0 |
