Glycoside
GD081869
Name:
NoneFormula:
C18H24O8N4Smiles:
O=C(C(=O)N1CCC2(CC1)CN(c1cncnc1)C(=O)CO2)[C@H](O)[C@@H](O)[C@@H](O)COAglycone:
O=C1COC2(CCNCC2)CN1c1cncnc1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.61 |
| AlogP: | -3.15 | Num_rotatable_bonds: | 6 |
| MolWt: | 424.41 | Num_heavy_atoms: | 30 |
| TPSA: | 173.62 | NumAromaticRings: | 1 |
Unique Aglycone
AD36785
Formula: C12H16O2N4
Smiles:
O=C1COC2(CCNCC2)CN1c1cncnc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.58 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 248.29 | Num_heavy_atoms: | 18 |
| TPSA: | 67.35 | NumAromaticRings: | 1 |
