Glycoside
GD012814
Name:
NoneFormula:
C28H32O9N4Smiles:
CO[C@@H]1[C@H](OC(=O)c2ccc(C)[nH]2)[C@H](O)[C@H](Oc2ccc3c(OCCn4cncn4)cc(=O)oc3c2C)OC1(C)CAglycone:
Cc1c(O)ccc2c(OCCn3cncn3)cc(=O)oc12.Cc1ccc(C(=O)O)[nH]1Sugarmoiety:
COC1C(O)C(O)C(O)OC1(C)COther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.43 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 9 |
| MolWt: | 568.58 | Num_heavy_atoms: | 41 |
| TPSA: | 160.16 | NumAromaticRings: | 4 |
Unique Aglycone
AD00152
Formula: C6H7O2N
Smiles:
Cc1ccc(C(=O)O)[nH]1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 1 |
| MolWt: | 125.13 | Num_heavy_atoms: | 9 |
| TPSA: | 53.09 | NumAromaticRings: | 1 |
AD09627
Formula: C14H13O4N3
Smiles:
Cc1c(O)ccc2c(OCCn3cncn3)cc(=O)oc12| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.21 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 4 |
| MolWt: | 287.28 | Num_heavy_atoms: | 21 |
| TPSA: | 90.38 | NumAromaticRings: | 3 |
