Glycoside
GD112333
Name:
NoneFormula:
C36H33O7N3Smiles:
COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(NC(=O)c4ccccc4)nc3=O)[C@H](O)[C@@H]2O)(c2ccccc2)c2ccccc2)cc1Aglycone:
COc1ccc(C(OC)(c2ccccc2)c2ccccc2)cc1.O=C(Nc1cc[nH]c(=O)n1)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.19 |
| AlogP: | 4.13 | Num_rotatable_bonds: | 10 |
| MolWt: | 619.67 | Num_heavy_atoms: | 46 |
| TPSA: | 132.14 | NumAromaticRings: | 5 |
Unique Aglycone
AD05676
Formula: C21H20O2
Smiles:
COc1ccc(C(OC)(c2ccccc2)c2ccccc2)cc1| HBA: | 2 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 4.63 | Num_rotatable_bonds: | 5 |
| MolWt: | 304.39 | Num_heavy_atoms: | 23 |
| TPSA: | 18.46 | NumAromaticRings: | 3 |
AD05677
Formula: C11H9O2N3
Smiles:
O=C(Nc1cc[nH]c(=O)n1)c1ccccc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 2 |
| MolWt: | 215.21 | Num_heavy_atoms: | 16 |
| TPSA: | 74.85 | NumAromaticRings: | 2 |
