Glycoside
GD116145
Name:
Pabularin BFormula:
C28H30O13Smiles:
Cc1occc(=O)c1OC1OC(CO)C(O)C(O)C1OC(C)(C)C(O)COc1c2ccoc2cc2oc(=O)ccc12Aglycone:
CC(C)(O)C(O)COc1c2ccoc2cc2oc(=O)ccc12.Cc1occc(=O)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 9 |
| MolWt: | 574.54 | Num_heavy_atoms: | 41 |
| TPSA: | 191.4 | NumAromaticRings: | 4 |
Unique Aglycone
AD12565
Formula: C6H6O3
Smiles:
Cc1occc(=O)c1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 126.11 | Num_heavy_atoms: | 9 |
| TPSA: | 50.44 | NumAromaticRings: | 1 |
AD40827
Formula: C16H16O6
Smiles:
CC(C)(O)C(O)COc1c2ccoc2cc2oc(=O)ccc12| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.31 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 4 |
| MolWt: | 304.3 | Num_heavy_atoms: | 22 |
| TPSA: | 93.04 | NumAromaticRings: | 3 |
