Glycoside
GD015549
Name:
(+)-SECOISOLARICIRESINOLDIGLUCOSIDEFormula:
C32H46O16Smiles:
COc1cc(C[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)Cc2ccc(O)c(OC)c2)ccc1OAglycone:
COc1cc(CC(CO)C(CO)Cc2ccc(O)c(OC)c2)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.62 |
| AlogP: | -2.23 | Num_rotatable_bonds: | 15 |
| MolWt: | 686.7 | Num_heavy_atoms: | 48 |
| TPSA: | 257.68 | NumAromaticRings: | 2 |
Unique Aglycone
AD11289
Formula: C20H26O6
Smiles:
COc1cc(CC(CO)C(CO)Cc2ccc(O)c(OC)c2)ccc1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 2.12 | Num_rotatable_bonds: | 9 |
| MolWt: | 362.42 | Num_heavy_atoms: | 26 |
| TPSA: | 99.38 | NumAromaticRings: | 2 |
