Glycoside
GD024240
Name:
NoneFormula:
C36H35O10N2ClBr2Smiles:
OC[C@@H]1O[C@H](n2cc(C(c3ccc(Cl)cc3)c3cn([C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)c4ccc(Br)cc34)c3cc(Br)ccc32)[C@H](O)[C@H](O)[C@H]1OAglycone:
Clc1ccc(C(c2c[nH]c3ccc(Br)cc23)c2c[nH]c3ccc(Br)cc23)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.37 |
| AlogP: | 2.9 | Num_rotatable_bonds: | 7 |
| MolWt: | 838.93 | Num_heavy_atoms: | 50 |
| TPSA: | 190.16 | NumAromaticRings: | 5 |
Unique Aglycone
AD15667
Formula: C24H15N2ClBr2
Smiles:
Clc1ccc(C(c2c[nH]c3ccc(Br)cc23)c2c[nH]c3ccc(Br)cc23)cc1| HBA: | 2 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.04 |
| AlogP: | 8.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 514.65 | Num_heavy_atoms: | 28 |
| TPSA: | 31.58 | NumAromaticRings: | 5 |
