Glycoside
GD072611
Name:
NoneFormula:
C18H23O7N3Smiles:
O=C(C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1)[C@H](O)[C@H](O)[C@@H](O)COAglycone:
O=c1[nH]c2ccccc2n1C1CCNCC1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -1.86 | Num_rotatable_bonds: | 6 |
| MolWt: | 393.4 | Num_heavy_atoms: | 28 |
| TPSA: | 156.09 | NumAromaticRings: | 2 |
Unique Aglycone
AD33835
Formula: C12H15ON3
Smiles:
O=c1[nH]c2ccccc2n1C1CCNCC1| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.42 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 1 |
| MolWt: | 217.27 | Num_heavy_atoms: | 16 |
| TPSA: | 49.82 | NumAromaticRings: | 2 |
