Glycoside
GD140848
Name:
7,14-dimethoxy-6,13-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-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:
C28H30O18Smiles:
COc1c(OC2OC(CO)C(O)C(O)C2O)cc2c(=O)oc3c(OC)c(OC4OC(CO)C(O)C(O)C4O)cc4c(=O)oc1c2c34Aglycone:
COc1c(O)cc2c(=O)oc3c(OC)c(O)cc4c(=O)oc1c2c34Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | -3.13 | Num_rotatable_bonds: | 8 |
| MolWt: | 654.53 | Num_heavy_atoms: | 46 |
| TPSA: | 277.64 | 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 |
