Glycoside
GD135604
Name:
Pseudobaptigenin 7-O-LaminaribiosideFormula:
C28H30O15Smiles:
O=c1c(-c2ccc3c(c2)OCO3)coc2cc(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)ccc12Aglycone:
O=c1c(-c2ccc3c(c2)OCO3)coc2cc(O)ccc12Sugarmoiety:
OCC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.46 |
| AlogP: | -1.81 | Num_rotatable_bonds: | 7 |
| MolWt: | 606.53 | Num_heavy_atoms: | 43 |
| TPSA: | 227.2 | NumAromaticRings: | 3 |
Unique Aglycone
AD04500
Formula: C16H10O5
Smiles:
O=c1c(-c2ccc3c(c2)OCO3)coc2cc(O)ccc12| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.06 |
| AlogP: | 2.89 | Num_rotatable_bonds: | 1 |
| MolWt: | 282.25 | Num_heavy_atoms: | 21 |
| TPSA: | 68.9 | NumAromaticRings: | 3 |
