Glycoside
GD141662
Name:
9-{[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-3,7,20-trihydroxy-17-methyl-12,16,21-trioxapentacyclo[15.3.1.0²,¹âµ.0â´,¹³.0â¶,¹¹]henicosa-2,4(13),6,8,10,14-hexaen-5-oneFormula:
C26H28O13Smiles:
COC1C(CO)OC(Oc2cc(O)c3c(=O)c4c(O)c5c(cc4oc3c2)OC2(C)CCC(O)C5O2)C(O)C1OAglycone:
CC12CCC(O)C(O1)c1c(cc3oc4cc(O)cc(O)c4c(=O)c3c1O)O2Sugarmoiety:
COC1C(CO)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 4 |
| MolWt: | 548.5 | Num_heavy_atoms: | 39 |
| TPSA: | 197.74 | NumAromaticRings: | 3 |
Unique Aglycone
AD57054
Formula: C19H16O8
Smiles:
CC12CCC(O)C(O1)c1c(cc3oc4cc(O)cc(O)c4c(=O)c3c1O)O2| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 2.38 | Num_rotatable_bonds: | 0 |
| MolWt: | 372.33 | Num_heavy_atoms: | 27 |
| TPSA: | 129.59 | NumAromaticRings: | 3 |
