Glycoside
GD112670
Name:
NoneFormula:
C38H37O8N3Smiles:
COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(NC(=O)c4ccccc4)nc3=O)[C@H](OC)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1Aglycone:
COc1ccc(C(OC)(c2ccccc2)c2ccc(OC)cc2)cc1.O=C(Nc1cc[nH]c(=O)n1)c1ccccc1Sugarmoiety:
COC1C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.24 |
| AlogP: | 4.79 | Num_rotatable_bonds: | 12 |
| MolWt: | 663.73 | Num_heavy_atoms: | 49 |
| TPSA: | 130.37 | NumAromaticRings: | 5 |
Unique Aglycone
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 |
AD07921
Formula: C22H22O3
Smiles:
COc1ccc(C(OC)(c2ccccc2)c2ccc(OC)cc2)cc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.18 |
| AlogP: | 4.64 | Num_rotatable_bonds: | 6 |
| MolWt: | 334.42 | Num_heavy_atoms: | 25 |
| TPSA: | 27.69 | NumAromaticRings: | 3 |
