Glycoside
GD113038
Name:
NoneFormula:
C35H33O7N3Smiles:
Cc1ccc(C(=O)OC[C@@H]2O[C@H](N3NNc4ccccc43)[C@@H](OC(=O)c3ccc(C)cc3)[C@H]2OC(=O)c2ccc(C)cc2)cc1Aglycone:
COC(=O)c1ccc(C)cc1.Cc1ccc(C(=O)O)cc1.Cc1ccc(C(=O)O)cc1.c1ccc2c(c1)NNN2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.23 |
| AlogP: | 5.3 | Num_rotatable_bonds: | 8 |
| MolWt: | 607.66 | Num_heavy_atoms: | 45 |
| TPSA: | 115.43 | NumAromaticRings: | 4 |
Unique Aglycone
AD00492
Formula: C8H8O2
Smiles:
Cc1ccc(C(=O)O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD04171
Formula: C9H10O2
Smiles:
COC(=O)c1ccc(C)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.22 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 1 |
| MolWt: | 150.18 | Num_heavy_atoms: | 11 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD44804
Formula: C6H7N3
Smiles:
c1ccc2c(c1)NNN2| HBA: | 3 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 121.14 | Num_heavy_atoms: | 9 |
| TPSA: | 36.09 | NumAromaticRings: | 1 |
