Glycoside
GD134937
Name:
Cascaroside AFormula:
C27H32O14Smiles:
O=C1c2c(O)cc(CO)cc2C(C2OC(CO)C(O)C(O)C2O)c2cccc(OC3OC(CO)C(O)C(O)C3O)c21Aglycone:
O=C1c2c(O)cccc2Cc2cc(CO)cc(O)c21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.52 |
| AlogP: | -3.42 | Num_rotatable_bonds: | 6 |
| MolWt: | 580.54 | Num_heavy_atoms: | 41 |
| TPSA: | 247.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD00446
Formula: C15H12O4
Smiles:
O=C1c2c(O)cccc2Cc2cc(CO)cc(O)c21| HBA: | 4 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.13 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 1 |
| MolWt: | 256.26 | Num_heavy_atoms: | 19 |
| TPSA: | 77.76 | NumAromaticRings: | 2 |
