Glycoside
GD023143
Name:
NoneFormula:
C23H22O6NClSmiles:
O[C@@H]1[C@@H](n2cc(Cc3ccc4c(c3)OCCO4)c3c(Cl)cccc32)OC[C@@H](O)[C@H]1OAglycone:
Clc1cccc2[nH]cc(Cc3ccc4c(c3)OCCO4)c12Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.36 |
| AlogP: | 2.27 | Num_rotatable_bonds: | 3 |
| MolWt: | 431.87 | Num_heavy_atoms: | 30 |
| TPSA: | 93.31 | NumAromaticRings: | 3 |
Unique Aglycone
AD15599
Formula: C18H14O2NCl
Smiles:
Clc1cccc2[nH]cc(Cc3ccc4c(c3)OCCO4)c12| HBA: | 3 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 4.18 | Num_rotatable_bonds: | 2 |
| MolWt: | 299.76 | Num_heavy_atoms: | 21 |
| TPSA: | 34.25 | NumAromaticRings: | 3 |
