Glycoside
GD035331
Name:
NoneFormula:
C22H20O6NClSmiles:
O[C@@H]1[C@@H](n2cc(Cc3ccc4c(c3)OCO4)c3c(Cl)cccc32)OC[C@@H](O)[C@H]1OAglycone:
Clc1cccc2[nH]cc(Cc3ccc4c(c3)OCO4)c12Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 2.23 | Num_rotatable_bonds: | 3 |
| MolWt: | 417.85 | Num_heavy_atoms: | 29 |
| TPSA: | 93.31 | NumAromaticRings: | 3 |
Unique Aglycone
AD22367
Formula: C17H12O2NCl
Smiles:
Clc1cccc2[nH]cc(Cc3ccc4c(c3)OCO4)c12| HBA: | 3 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 4.14 | Num_rotatable_bonds: | 2 |
| MolWt: | 285.73 | Num_heavy_atoms: | 20 |
| TPSA: | 34.25 | NumAromaticRings: | 3 |
