Glycoside
GD124917
Name:
JasurolignosideFormula:
C43H56O21Smiles:
CC=C1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OCCCc1cc(OC)c2c(c1)C(CO)C(c1ccc(OC3OC(CO)C(O)C(O)C3O)c(OC)c1)O2Aglycone:
CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)OCCCc1cc(OC)c2c(c1)C(CO)C(c1ccc(O)c(OC)c1)O2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.58 |
| AlogP: | -1.25 | Num_rotatable_bonds: | 17 |
| MolWt: | 908.9 | Num_heavy_atoms: | 64 |
| TPSA: | 308.51 | NumAromaticRings: | 2 |
Unique Aglycone
AD50500
Formula: C31H36O11
Smiles:
CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)OCCCc1cc(OC)c2c(c1)C(CO)C(c1ccc(O)c(OC)c1)O2| HBA: | 11 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.42 |
| AlogP: | 3.45 | Num_rotatable_bonds: | 11 |
| MolWt: | 584.62 | Num_heavy_atoms: | 42 |
| TPSA: | 150.21 | NumAromaticRings: | 2 |
