Glycoside
GD147036
Name:
Isoetin 2'-(4''-Acetylxyloside)Formula:
C22H20O12Smiles:
CC(=O)OC1COC(Oc2cc(O)c(O)cc2-c2cc(=O)c3c(O)cc(O)cc3o2)C(O)C1OAglycone:
O=c1cc(-c2cc(O)c(O)cc2O)oc2cc(O)cc(O)c12Sugarmoiety:
CC(=O)OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.27 |
| AlogP: | 0.67 | Num_rotatable_bonds: | 4 |
| MolWt: | 476.39 | Num_heavy_atoms: | 34 |
| TPSA: | 196.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD44882
Formula: C15H10O7
Smiles:
O=c1cc(-c2cc(O)c(O)cc2O)oc2cc(O)cc(O)c12| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 1 |
| MolWt: | 302.24 | Num_heavy_atoms: | 22 |
| TPSA: | 131.36 | NumAromaticRings: | 3 |
