Glycoside
GD027240
Name:
NoneFormula:
C48H45O12N2ClSmiles:
O=C(CCCCCNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)NCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1Aglycone:
O=C(CCCCCNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)NCc1ccc(Cc2ccccc2Cl)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.28 |
| AlogP: | 5.33 | Num_rotatable_bonds: | 15 |
| MolWt: | 865.33 | Num_heavy_atoms: | 62 |
| TPSA: | 236.09 | NumAromaticRings: | 4 |
Unique Aglycone
AD17921
Formula: C42H35O7N2Cl
Smiles:
O=C(CCCCCNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)NCc1ccc(Cc2ccccc2Cl)cc1| HBA: | 9 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.17 |
| AlogP: | 7.82 | Num_rotatable_bonds: | 13 |
| MolWt: | 703.19 | Num_heavy_atoms: | 51 |
| TPSA: | 145.94 | NumAromaticRings: | 4 |
