Glycoside
GD125418
Name:
2-({7,13-dihydroxy-14-methoxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.0â´,¹â¶.0¹¹,¹âµ]hexadeca-1(15),4(16),5,7,11,13-hexaen-6-yl}oxy)-4,5-dihydroxy-6-methyloxan-3-yl acetateFormula:
C23H20O13Smiles:
COc1c(O)cc2c(=O)oc3c(O)c(OC4OC(C)C(O)C(O)C4OC(C)=O)cc4c(=O)oc1c2c34Aglycone:
COc1c(O)cc2c(=O)oc3c(O)c(O)cc4c(=O)oc1c2c34Sugarmoiety:
CC(=O)OC1C(O)OC(C)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 4 |
| MolWt: | 504.4 | Num_heavy_atoms: | 36 |
| TPSA: | 195.33 | NumAromaticRings: | 4 |
Unique Aglycone
AD07122
Formula: C15H8O8
Smiles:
COc1c(O)cc2c(=O)oc3c(O)c(O)cc4c(=O)oc1c2c34| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 1.62 | Num_rotatable_bonds: | 1 |
| MolWt: | 316.22 | Num_heavy_atoms: | 23 |
| TPSA: | 130.34 | NumAromaticRings: | 4 |
