Glycoside
GD133224
Name:
SarothamnosideFormula:
C37H46O23Smiles:
O=c1c(-c2ccc(OC3OCC(O)(COC4OC(CO)C(O)C(O)C4O)C3O)cc2)coc2cc(OC3OCC(O)(COC4OC(CO)C(O)C(O)C4O)C3O)cc(O)c12Aglycone:
O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12Sugarmoiety:
OCC1OC(OCC2(O)COC(O)C2O)C(O)C(O)C1O.OCC1OC(OCC2(O)COC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 7 |
| HBD: | 13 | FractionCSP3: | 0.59 |
| AlogP: | -5.55 | Num_rotatable_bonds: | 13 |
| MolWt: | 858.75 | Num_heavy_atoms: | 60 |
| TPSA: | 367.04 | NumAromaticRings: | 3 |
Unique Aglycone
AD02603
Formula: C15H10O5
Smiles:
O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 270.24 | Num_heavy_atoms: | 20 |
| TPSA: | 90.9 | NumAromaticRings: | 3 |
