Glycoside
GD127516
Name:
ChabosideFormula:
C27H28O11N2Smiles:
CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(OC)c(OC4OC(CO)C(O)C(O)C4O)ccc3nc2-1Aglycone:
CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(OC)c(O)ccc3nc2-1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | -0.73 | Num_rotatable_bonds: | 5 |
| MolWt: | 556.52 | Num_heavy_atoms: | 40 |
| TPSA: | 190.03 | NumAromaticRings: | 3 |
Unique Aglycone
AD51640
Formula: C21H18O6N2
Smiles:
CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(OC)c(O)ccc3nc2-1| HBA: | 8 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 1.79 | Num_rotatable_bonds: | 2 |
| MolWt: | 394.38 | Num_heavy_atoms: | 29 |
| TPSA: | 110.88 | NumAromaticRings: | 3 |
