Glycoside
GD126889
Name:
2-({2-[(2-carboxy-4,5,6-trihydroxyoxan-3-yl)oxy]-3-acetamido-5-hydroxy-6-(hydroxymethyl)oxan-4-yl}oxy)-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acidFormula:
C20H29O17NSmiles:
CC(O)=NC1C(OC2C(C(=O)O)OC(O)C(O)C2O)OC(CO)C(O)C1OC1OC(C(=O)O)=CC(O)C1OAglycone:
O=C(O)C1=CC(O)C(O)C(O)O1Sugarmoiety:
CC(O)=NC1C(OC2C(C(=O)O)OC(O)C(O)C2O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.75 |
| AlogP: | -5.25 | Num_rotatable_bonds: | 8 |
| MolWt: | 555.44 | Num_heavy_atoms: | 38 |
| TPSA: | 294.95 | NumAromaticRings: | 0 |
Unique Aglycone
AD03451
Formula: C6H8O6
Smiles:
O=C(O)C1=CC(O)C(O)C(O)O1| HBA: | 6 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -1.97 | Num_rotatable_bonds: | 1 |
| MolWt: | 176.12 | Num_heavy_atoms: | 12 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
