Glycoside
GD034825
Name:
NoneFormula:
C49H47O12N2ClSmiles:
CN(Cc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1)C(=O)CCCCCNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1Aglycone:
CN(Cc1ccc(Cc2ccccc2Cl)cc1)C(=O)CCCCCNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.29 |
| AlogP: | 5.68 | Num_rotatable_bonds: | 15 |
| MolWt: | 879.36 | Num_heavy_atoms: | 63 |
| TPSA: | 227.3 | NumAromaticRings: | 4 |
Unique Aglycone
AD22090
Formula: C43H37O7N2Cl
Smiles:
CN(Cc1ccc(Cc2ccccc2Cl)cc1)C(=O)CCCCCNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1| HBA: | 9 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.19 |
| AlogP: | 8.16 | Num_rotatable_bonds: | 13 |
| MolWt: | 717.22 | Num_heavy_atoms: | 52 |
| TPSA: | 137.15 | NumAromaticRings: | 4 |
