Glycoside
GD120271
Name:
NoneFormula:
C22H21O12NSmiles:
O=C(O)c1cc2c(c3c1c([NH+]([O-])O)cc1ccc(OC4OC(CO)C(O)C(O)C4O)cc13)OCO2Aglycone:
O=C(O)c1cc2c(c3c1c([NH+]([O-])O)cc1ccc(O)cc13)OCO2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.32 |
| AlogP: | -1.0 | Num_rotatable_bonds: | 5 |
| MolWt: | 491.41 | Num_heavy_atoms: | 35 |
| TPSA: | 202.87 | NumAromaticRings: | 3 |
Unique Aglycone
AD48294
Formula: C16H11O7N
Smiles:
O=C(O)c1cc2c(c3c1c([NH+]([O-])O)cc1ccc(O)cc13)OCO2| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.06 |
| AlogP: | 1.53 | Num_rotatable_bonds: | 2 |
| MolWt: | 329.26 | Num_heavy_atoms: | 24 |
| TPSA: | 123.72 | NumAromaticRings: | 3 |
