Glycoside
GD117400
Name:
Sagittatoside BFormula:
C32H38O14Smiles:
COc1ccc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2OC2OC(C)C(O)C(O)C2OC2OCC(O)C(O)C2O)cc1Aglycone:
COc1ccc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2O)cc1Sugarmoiety:
CC1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.47 |
| AlogP: | 1.06 | Num_rotatable_bonds: | 8 |
| MolWt: | 646.64 | Num_heavy_atoms: | 46 |
| TPSA: | 217.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD10075
Formula: C21H20O6
Smiles:
COc1ccc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2O)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.19 |
| AlogP: | 4.09 | Num_rotatable_bonds: | 4 |
| MolWt: | 368.39 | Num_heavy_atoms: | 27 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
