Glycoside
GD128802
Name:
PubescidinFormula:
C28H32O15Smiles:
COc1ccc(-c2coc3cc(OC4OC(CO)C(O)C(O)C4OC4OCC(O)(CO)C4O)c(OC)c(O)c3c2=O)cc1Aglycone:
COc1ccc(-c2coc3cc(O)c(OC)c(O)c3c2=O)cc1Sugarmoiety:
OCC1OC(O)C(OC2OCC(O)(CO)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.46 |
| AlogP: | -1.17 | Num_rotatable_bonds: | 9 |
| MolWt: | 608.55 | Num_heavy_atoms: | 43 |
| TPSA: | 227.2 | NumAromaticRings: | 3 |
Unique Aglycone
AD05375
Formula: C17H14O6
Smiles:
COc1ccc(-c2coc3cc(O)c(OC)c(O)c3c2=O)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 2.89 | Num_rotatable_bonds: | 3 |
| MolWt: | 314.29 | Num_heavy_atoms: | 23 |
| TPSA: | 89.13 | NumAromaticRings: | 3 |
