Glycoside
GD131977
Name:
6,7,14-trimethoxy-13-[(3,4,5-trihydroxy-6-methoxyoxan-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:
C23H22O13Smiles:
COc1cc2c(=O)oc3c(OC)c(OC4OC(OC)C(O)C(O)C4O)cc4c(=O)oc(c1OC)c2c34Aglycone:
COc1cc2c(=O)oc3c(OC)c(O)cc4c(=O)oc(c1OC)c2c34Sugarmoiety:
COC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.39 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 6 |
| MolWt: | 506.42 | Num_heavy_atoms: | 36 |
| TPSA: | 176.49 | NumAromaticRings: | 4 |
Unique Aglycone
AD05280
Formula: C17H12O8
Smiles:
COc1cc2c(=O)oc3c(OC)c(O)cc4c(=O)oc(c1OC)c2c34| HBA: | 8 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 3 |
| MolWt: | 344.28 | Num_heavy_atoms: | 25 |
| TPSA: | 108.34 | NumAromaticRings: | 4 |
