Glycoside
GD134405
Name:
NoneFormula:
C37H40O19N2Smiles:
CCc1cc(Cc2c(OC3OC(C(=O)OC4OC(C(=O)O)C(O)C(O)C4O)C(O)C(O)C3O)cc3oc(-c4cc(O)c(O)c(CCO)c4)cc(=O)c3c2O)cnc1NAglycone:
CCc1cc(Cc2c(O)cc3oc(-c4cc(O)c(O)c(CCO)c4)cc(=O)c3c2O)cnc1NSugarmoiety:
O=C(OC1OC(C(=O)O)C(O)C(O)C1O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 13 | FractionCSP3: | 0.41 |
| AlogP: | -2.14 | Num_rotatable_bonds: | 11 |
| MolWt: | 816.72 | Num_heavy_atoms: | 58 |
| TPSA: | 362.71 | NumAromaticRings: | 4 |
Unique Aglycone
AD54374
Formula: C25H24O7N2
Smiles:
CCc1cc(Cc2c(O)cc3oc(-c4cc(O)c(O)c(CCO)c4)cc(=O)c3c2O)cnc1N| HBA: | 9 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.2 |
| AlogP: | 2.95 | Num_rotatable_bonds: | 6 |
| MolWt: | 464.47 | Num_heavy_atoms: | 34 |
| TPSA: | 170.27 | NumAromaticRings: | 4 |
