Glycoside
GD144389
Name:
6-{1-[(4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3-acetamido-5-hydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-2,3-dihydroxypropyl}-5-acetamido-2,4-dihydroxyoxane-2-carboxylic acidFormula:
C31H52O24N2Smiles:
CC(O)=NC1C(OC(C(O)CO)C2OC(O)(C(=O)O)CC(O)C2N=C(C)O)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
CC(O)=NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)COSugarmoiety:
CC(O)=NC1C(O)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 4 |
| HBD: | 16 | FractionCSP3: | 0.9 |
| AlogP: | -8.57 | Num_rotatable_bonds: | 15 |
| MolWt: | 836.75 | Num_heavy_atoms: | 57 |
| TPSA: | 430.08 | NumAromaticRings: | 0 |
Unique Aglycone
AD44972
Formula: C11H19O9N
Smiles:
CC(O)=NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO| HBA: | 10 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.82 |
| AlogP: | -3.03 | Num_rotatable_bonds: | 5 |
| MolWt: | 309.27 | Num_heavy_atoms: | 21 |
| TPSA: | 180.27 | NumAromaticRings: | 0 |
