Glycoside
GD130915
Name:
3,4,5-trihydroxy-6-({13-hydroxy-7,14-dimethoxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.0â´,¹â¶.0¹¹,¹âµ]hexadeca-1(14),4,6,8(16),11(15),12-hexaen-6-yl}oxy)oxane-2-carboxylic acidFormula:
C22H18O14Smiles:
COc1c(O)cc2c(=O)oc3c(OC)c(OC4OC(C(=O)O)C(O)C(O)C4O)cc4c(=O)oc1c2c34Aglycone:
COc1c(O)cc2c(=O)oc3c(OC)c(O)cc4c(=O)oc1c2c34Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 5 |
| MolWt: | 506.37 | Num_heavy_atoms: | 36 |
| TPSA: | 215.56 | NumAromaticRings: | 4 |
Unique Aglycone
AD09504
Formula: C16H10O8
Smiles:
COc1c(O)cc2c(=O)oc3c(OC)c(O)cc4c(=O)oc1c2c34| HBA: | 8 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.92 | Num_rotatable_bonds: | 2 |
| MolWt: | 330.25 | Num_heavy_atoms: | 24 |
| TPSA: | 119.34 | NumAromaticRings: | 4 |
