Glycoside
GD017004
Name:
NoneFormula:
C35H41O13N3Smiles:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(C)=O)C[C@H]3O[C@@H]1C[C@H](N=[N+]=[N-])[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)O1Aglycone:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=O)CC3OC1CC(N=[N+]=[N-])C(O)C(C)O1Sugarmoiety:
COC1(C)CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.57 |
| AlogP: | 3.31 | Num_rotatable_bonds: | 8 |
| MolWt: | 711.72 | Num_heavy_atoms: | 51 |
| TPSA: | 236.27 | NumAromaticRings: | 2 |
Unique Aglycone
AD05396
Formula: C27H27O10N3
Smiles:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=O)CC3OC1CC(N=[N+]=[N-])C(O)C(C)O1| HBA: | 13 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | 2.38 | Num_rotatable_bonds: | 5 |
| MolWt: | 553.52 | Num_heavy_atoms: | 40 |
| TPSA: | 208.58 | NumAromaticRings: | 2 |
