Glycoside
GD134788
Name:
NoneFormula:
C21H27O12NSmiles:
CC1OC(OCC2OC(OC(=O)OC3=c4ccccc4=NC3)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
O=C(O)OC1=c2ccccc2=NC1Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | -3.77 | Num_rotatable_bonds: | 5 |
| MolWt: | 485.44 | Num_heavy_atoms: | 34 |
| TPSA: | 196.96 | NumAromaticRings: | 1 |
Unique Aglycone
AD54523
Formula: C9H7O3N
Smiles:
O=C(O)OC1=c2ccccc2=NC1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.11 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 1 |
| MolWt: | 177.16 | Num_heavy_atoms: | 13 |
| TPSA: | 58.89 | NumAromaticRings: | 1 |
