Glycoside
GD125024
Name:
2-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 2-amino-3-methylbutanoateFormula:
C17H31O12NSmiles:
CC(C)C(N)C(=O)OC1C(OC2(CO)OC(CO)C(O)C2O)OC(CO)C(O)C1OAglycone:
CC(C)C(N)C(=O)OSugarmoiety:
OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.94 |
| AlogP: | -4.86 | Num_rotatable_bonds: | 8 |
| MolWt: | 441.43 | Num_heavy_atoms: | 30 |
| TPSA: | 221.62 | NumAromaticRings: | 0 |
Unique Aglycone
AD02767
Formula: C5H11O2N
Smiles:
CC(C)C(N)C(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 0.05 | Num_rotatable_bonds: | 2 |
| MolWt: | 117.15 | Num_heavy_atoms: | 8 |
| TPSA: | 63.32 | NumAromaticRings: | 0 |
