Glycoside
GD127462
Name:
NoneFormula:
C24H26O13N2Smiles:
O=C(O)C1=NC(C(=O)O)CC(C=CN2c3cc(OC4OC(CO)C(O)C(O)C4O)c(O)cc3CC2C(=O)O)=C1Aglycone:
O=C(O)C1=NC(C(=O)O)CC(C=CN2c3cc(O)c(O)cc3CC2C(=O)O)=C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.42 |
| AlogP: | -1.79 | Num_rotatable_bonds: | 8 |
| MolWt: | 550.47 | Num_heavy_atoms: | 39 |
| TPSA: | 247.11 | NumAromaticRings: | 1 |
Unique Aglycone
AD11471
Formula: C18H16O8N2
Smiles:
O=C(O)C1=NC(C(=O)O)CC(C=CN2c3cc(O)c(O)cc3CC2C(=O)O)=C1| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.22 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 5 |
| MolWt: | 388.33 | Num_heavy_atoms: | 28 |
| TPSA: | 167.96 | NumAromaticRings: | 1 |
