Glycoside
GD026987
Name:
NoneFormula:
C34H39O16NCl2Smiles:
C[C@@H]1O[C@H](OC[C@@H]2O[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)c(CN(CCCl)CCCl)c(O)c4c3=O)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)c(CN(CCCl)CCCl)c(O)c12Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.53 |
| AlogP: | -0.41 | Num_rotatable_bonds: | 12 |
| MolWt: | 764.56 | Num_heavy_atoms: | 51 |
| TPSA: | 272.67 | NumAromaticRings: | 3 |
Unique Aglycone
AD17762
Formula: C22H19O7NCl2
Smiles:
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)c(CN(CCCl)CCCl)c(O)c12| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.25 |
| AlogP: | 3.27 | Num_rotatable_bonds: | 7 |
| MolWt: | 456.28 | Num_heavy_atoms: | 30 |
| TPSA: | 134.6 | NumAromaticRings: | 3 |
