Glycoside
GD121276
Name:
sagittasine cFormula:
C33H40O16Smiles:
COc1ccc(-c2oc3c(CC=C(C)C)c(OC4OC(CO)C(O)C(O)C4O)cc(O)c3c(=O)c2OC2OC(C)C(O)C(O)C2O)cc1OAglycone:
COc1ccc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2O)cc1OSugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.48 |
| AlogP: | -0.23 | Num_rotatable_bonds: | 9 |
| MolWt: | 692.67 | Num_heavy_atoms: | 49 |
| TPSA: | 258.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD48807
Formula: C21H20O7
Smiles:
COc1ccc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2O)cc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.19 |
| AlogP: | 3.8 | Num_rotatable_bonds: | 4 |
| MolWt: | 384.38 | Num_heavy_atoms: | 28 |
| TPSA: | 120.36 | NumAromaticRings: | 3 |
