Glycoside
GD147563
Name:
6,13-dihydroxy-7-methoxy-14-[(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:
C20H16O12Smiles:
COc1c(O)cc2c(=O)oc3c(OC4OCC(O)C(O)C4O)c(O)cc4c(=O)oc1c2c34Aglycone:
COc1c(O)cc2c(=O)oc3c(O)c(O)cc4c(=O)oc1c2c34Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 3 |
| MolWt: | 448.34 | Num_heavy_atoms: | 32 |
| TPSA: | 189.26 | 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 |
