Glycoside
GD150082
Name:
12-methoxy-13-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,5,10,17-tetraoxapentacyclo[9.6.2.0²,â¶.0â¸,¹â¸.0¹âµ,¹â¹]nonadeca-1(18),2(6),7,11,13,15(19)-hexaene-9,16-dioneFormula:
C22H18O12Smiles:
COc1c(C2OC(CO)C(O)C(O)C2O)cc2c(=O)oc3c4c(cc5c(=O)oc1c2c35)OCO4Aglycone:
COc1ccc2c(=O)oc3c4c(cc5c(=O)oc1c2c35)OCO4Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.36 |
| AlogP: | -0.26 | Num_rotatable_bonds: | 3 |
| MolWt: | 474.37 | Num_heavy_atoms: | 34 |
| TPSA: | 178.26 | NumAromaticRings: | 4 |
Unique Aglycone
AD59974
Formula: C16H8O7
Smiles:
COc1ccc2c(=O)oc3c4c(cc5c(=O)oc1c2c35)OCO4| HBA: | 7 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 2.23 | Num_rotatable_bonds: | 1 |
| MolWt: | 312.23 | Num_heavy_atoms: | 23 |
| TPSA: | 88.11 | NumAromaticRings: | 4 |
