Glycoside
GD088005
Name:
NoneFormula:
C20H24O9N2Smiles:
O=C(C(=O)N1CC[C@]2(CC(=O)N(c3ccc4c(c3)OCO4)C2)C1)[C@H](O)[C@@H](O)[C@H](O)COAglycone:
O=C1CC2(CCNC2)CN1c1ccc2c(c1)OCO2Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.55 |
| AlogP: | -1.99 | Num_rotatable_bonds: | 6 |
| MolWt: | 436.42 | Num_heavy_atoms: | 31 |
| TPSA: | 157.07 | NumAromaticRings: | 1 |
Unique Aglycone
AD38564
Formula: C14H16O3N2
Smiles:
O=C1CC2(CCNC2)CN1c1ccc2c(c1)OCO2| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 1.13 | Num_rotatable_bonds: | 1 |
| MolWt: | 260.29 | Num_heavy_atoms: | 19 |
| TPSA: | 50.8 | NumAromaticRings: | 1 |
