Glycoside
GD131005
Name:
SpicatisideFormula:
C36H30O15Smiles:
O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1c1c(OC2OC(CO)C(O)C(O)C2O)cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc12Aglycone:
O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1c1c(O)cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.22 |
| AlogP: | 2.27 | Num_rotatable_bonds: | 6 |
| MolWt: | 702.62 | Num_heavy_atoms: | 51 |
| TPSA: | 257.04 | NumAromaticRings: | 5 |
Unique Aglycone
AD21118
Formula: C30H20O10
Smiles:
O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1c1c(O)cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc12| HBA: | 10 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.07 |
| AlogP: | 4.79 | Num_rotatable_bonds: | 3 |
| MolWt: | 540.48 | Num_heavy_atoms: | 40 |
| TPSA: | 177.89 | NumAromaticRings: | 5 |
