Glycoside
GD116599
Name:
7,14-dimethoxy-6-(3,4,5-trihydroxybenzoyl)-13-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2,9-dioxatetracyclo[6.6.2.0â´,¹â¶.0¹¹,¹âµ]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dioneFormula:
C28H22O15Smiles:
COc1c(OC2OCC(O)C(O)C2O)cc2c(=O)oc3c(OC)c(C(=O)c4cc(O)c(O)c(O)c4)cc4c(=O)oc1c2c34Aglycone:
COc1c(O)cc2c(=O)oc3c(OC)c(C(=O)c4cc(O)c(O)c(O)c4)cc4c(=O)oc1c2c34Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.25 |
| AlogP: | 0.67 | Num_rotatable_bonds: | 6 |
| MolWt: | 598.47 | Num_heavy_atoms: | 43 |
| TPSA: | 235.79 | NumAromaticRings: | 5 |
Unique Aglycone
AD46337
Formula: C23H14O11
Smiles:
COc1c(O)cc2c(=O)oc3c(OC)c(C(=O)c4cc(O)c(O)c(O)c4)cc4c(=O)oc1c2c34| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.09 |
| AlogP: | 2.56 | Num_rotatable_bonds: | 4 |
| MolWt: | 466.35 | Num_heavy_atoms: | 34 |
| TPSA: | 176.87 | NumAromaticRings: | 5 |
