Glycoside
GD113137
Name:
NoneFormula:
C44H49O9N3Smiles:
COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(NC(=O)COc4ccc(C(C)(C)C)cc4)nc3=O)[C@H](OC)[C@@H]2OC)(c2ccccc2)c2ccc(OC)cc2)cc1Aglycone:
CC(C)(C)c1ccc(OCC(=O)Nc2cc[nH]c(=O)n2)cc1.COc1ccc(C(OC)(c2ccccc2)c2ccc(OC)cc2)cc1Sugarmoiety:
COC1C(O)OC(O)C1OCOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.34 |
| AlogP: | 6.51 | Num_rotatable_bonds: | 15 |
| MolWt: | 763.89 | Num_heavy_atoms: | 56 |
| TPSA: | 128.6 | NumAromaticRings: | 5 |
Unique Aglycone
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 |
AD44812
Formula: C16H19O3N3
Smiles:
CC(C)(C)c1ccc(OCC(=O)Nc2cc[nH]c(=O)n2)cc1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.31 |
| AlogP: | 2.08 | Num_rotatable_bonds: | 4 |
| MolWt: | 301.35 | Num_heavy_atoms: | 22 |
| TPSA: | 84.08 | NumAromaticRings: | 2 |
