Glycoside
GD033351
Name:
NoneFormula:
C42H50O18N2Smiles:
COc1c(O[C@@H]2OC(C)(C)[C@H](OC)[C@H](O)[C@H]2O)ccc2cc(NC(=O)CC=CCC(=O)Nc3cc4ccc(O[C@@H]5OC(C)(C)[C@H](OC)[C@H](O)[C@H]5O)c(OC)c4oc3=O)c(=O)oc12Aglycone:
COc1c(O)ccc2cc(NC(=O)CC=CCC(=O)Nc3cc4ccc(O)c(OC)c4oc3=O)c(=O)oc12Sugarmoiety:
COC1C(O)C(O)C(O)OC1(C)C.COC1C(O)C(O)C(O)OC1(C)COther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | 2.33 | Num_rotatable_bonds: | 14 |
| MolWt: | 870.86 | Num_heavy_atoms: | 62 |
| TPSA: | 273.38 | NumAromaticRings: | 4 |
Unique Aglycone
AD21294
Formula: C26H22O10N2
Smiles:
COc1c(O)ccc2cc(NC(=O)CC=CCC(=O)Nc3cc4ccc(O)c(OC)c4oc3=O)c(=O)oc12| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.15 |
| AlogP: | 3.24 | Num_rotatable_bonds: | 8 |
| MolWt: | 522.47 | Num_heavy_atoms: | 38 |
| TPSA: | 177.54 | NumAromaticRings: | 4 |
