Glycoside
GD039318
Name:
1-o-{6-chloro-5-[4-(1-hydroxycyclobutyl)phenyl]-1h-indole-3-carbonyl}-beta-d-glucopyranuronic acidFormula:
C26H24O9NClSmiles:
O=C(O[C@H]1O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@@H]1O)c1c[nH]c2cc(Cl)c(-c3ccc(C4(O)CCC4)cc3)cc12Aglycone:
O=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(C4(O)CCC4)cc3)cc12Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.36 |
| AlogP: | 1.91 | Num_rotatable_bonds: | 5 |
| MolWt: | 517.92 | Num_heavy_atoms: | 36 |
| TPSA: | 169.54 | NumAromaticRings: | 3 |
Unique Aglycone
AD19839
Formula: C20H16O3NCl
Smiles:
O=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(C4(O)CCC4)cc3)cc12| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.21 |
| AlogP: | 4.56 | Num_rotatable_bonds: | 3 |
| MolWt: | 341.79 | Num_heavy_atoms: | 24 |
| TPSA: | 73.32 | NumAromaticRings: | 3 |
