Glycoside
GD158062
Name:
3,9-bis[(3-hydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl] 3,9-dihydroxy-4,10-dioxotricyclo[6.2.2.0²,â·]dodeca-5,11-diene-3,9-dicarboxylateFormula:
C40H44O22Smiles:
O=C(OCc1cccc(O)c1OC1OC(CO)C(O)C(O)C1O)C1(O)C(=O)C2C=CC1C1C=CC(=O)C(O)(C(=O)OCc3cccc(O)c3OC3OC(CO)C(O)C(O)C3O)C21Aglycone:
O=C(OCc1cccc(O)c1O)C1(O)C(=O)C2C=CC1C1C=CC(=O)C(O)(C(=O)OCc3cccc(O)c3O)C21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 8 |
| HBD: | 12 | FractionCSP3: | 0.5 |
| AlogP: | -4.54 | Num_rotatable_bonds: | 12 |
| MolWt: | 876.77 | Num_heavy_atoms: | 62 |
| TPSA: | 366.42 | NumAromaticRings: | 2 |
Unique Aglycone
AD62418
Formula: C28H24O12
Smiles:
O=C(OCc1cccc(O)c1O)C1(O)C(=O)C2C=CC1C1C=CC(=O)C(O)(C(=O)OCc3cccc(O)c3O)C21| HBA: | 12 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.29 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 6 |
| MolWt: | 552.49 | Num_heavy_atoms: | 40 |
| TPSA: | 208.12 | NumAromaticRings: | 2 |
