Glycoside
GD008526
Name:
ALTERNANTHINFormula:
C22H22O10Smiles:
COc1cc(-c2cc(=O)c3c(O)c(O[C@@H]4C[C@H](O)[C@H](O)[C@H](C)O4)c(O)cc3o2)ccc1OAglycone:
COc1cc(-c2cc(=O)c3c(O)c(O)c(O)cc3o2)ccc1OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 4 |
| MolWt: | 446.41 | Num_heavy_atoms: | 32 |
| TPSA: | 159.05 | NumAromaticRings: | 3 |
Unique Aglycone
AD06803
Formula: C16H12O7
Smiles:
COc1cc(-c2cc(=O)c3c(O)c(O)c(O)cc3o2)ccc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.06 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 316.27 | Num_heavy_atoms: | 23 |
| TPSA: | 120.36 | NumAromaticRings: | 3 |
