Glycoside
GD150165
Name:
2-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 2-amino-3-(4-hydroxyphenyl)propanoateFormula:
C21H31O13NSmiles:
NC(Cc1ccc(O)cc1)C(=O)OC1C(OC2(CO)OC(CO)C(O)C2O)OC(CO)C(O)C1OAglycone:
NC(Cc1ccc(O)cc1)C(=O)OSugarmoiety:
OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.67 |
| AlogP: | -4.57 | Num_rotatable_bonds: | 9 |
| MolWt: | 505.47 | Num_heavy_atoms: | 35 |
| TPSA: | 241.85 | NumAromaticRings: | 1 |
Unique Aglycone
AD02060
Formula: C9H11O3N
Smiles:
NC(Cc1ccc(O)cc1)C(=O)O| HBA: | 4 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.22 |
| AlogP: | 0.35 | Num_rotatable_bonds: | 3 |
| MolWt: | 181.19 | Num_heavy_atoms: | 13 |
| TPSA: | 83.55 | NumAromaticRings: | 1 |
