Glycoside
GD072760
Name:
NoneFormula:
C18H22O8N2Smiles:
O=C(C(=O)N1CCC(n2c(=O)oc3ccccc32)CC1)[C@H](O)[C@H](O)[C@H](O)COAglycone:
O=c1oc2ccccc2n1C1CCNCC1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -1.6 | Num_rotatable_bonds: | 6 |
| MolWt: | 394.38 | Num_heavy_atoms: | 28 |
| TPSA: | 153.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD33874
Formula: C12H14O2N2
Smiles:
O=c1oc2ccccc2n1C1CCNCC1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.42 |
| AlogP: | 1.52 | Num_rotatable_bonds: | 1 |
| MolWt: | 218.26 | Num_heavy_atoms: | 16 |
| TPSA: | 47.17 | NumAromaticRings: | 2 |
