Glycoside
GD120587
Name:
16,17-dimethoxy-6-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-2,7,21-trioxapentacyclo[11.8.0.0³,¹¹.0â´,â¸.0¹â´,¹â¹]henicosa-1(13),3,8,10,14,16,18-heptaen-12-oneFormula:
C29H32O12Smiles:
COc1cc2c(cc1OC)-c1c(oc3c4c(ccc3c1=O)OC(C(C)(C)OC1OC(CO)C(O)C(O)C1O)C4)OC2Aglycone:
COc1cc2c(cc1OC)-c1c(oc3c4c(ccc3c1=O)OC(C(C)(C)O)C4)OC2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.48 |
| AlogP: | 1.27 | Num_rotatable_bonds: | 6 |
| MolWt: | 572.56 | Num_heavy_atoms: | 41 |
| TPSA: | 166.51 | NumAromaticRings: | 3 |
Unique Aglycone
AD48464
Formula: C23H22O7
Smiles:
COc1cc2c(cc1OC)-c1c(oc3c4c(ccc3c1=O)OC(C(C)(C)O)C4)OC2| HBA: | 7 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.35 |
| AlogP: | 3.44 | Num_rotatable_bonds: | 3 |
| MolWt: | 410.42 | Num_heavy_atoms: | 30 |
| TPSA: | 87.36 | NumAromaticRings: | 3 |
