Glycoside
GD022097
Name:
NoneFormula:
C35H38O9N3ClSmiles:
COC(=O)[C@@H]1O[C@H](Oc2cc3c(c4ccccc24)[C@H]([C@H](C)Cl)CN3C(=O)c2cc3cc(OCCN(C)C)ccc3[nH]2)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC(Cl)C1CN(C(=O)c2cc3cc(OCCN(C)C)ccc3[nH]2)c2cc(O)c3ccccc3c21Sugarmoiety:
COC(=O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.41 |
| AlogP: | 2.99 | Num_rotatable_bonds: | 9 |
| MolWt: | 668.14 | Num_heavy_atoms: | 47 |
| TPSA: | 154.02 | NumAromaticRings: | 4 |
Unique Aglycone
AD03127
Formula: C28H28O3N3Cl
Smiles:
CC(Cl)C1CN(C(=O)c2cc3cc(OCCN(C)C)ccc3[nH]2)c2cc(O)c3ccccc3c21| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 5.34 | Num_rotatable_bonds: | 6 |
| MolWt: | 477.99 | Num_heavy_atoms: | 34 |
| TPSA: | 68.8 | NumAromaticRings: | 4 |
