Glycoside
GD127452
Name:
HellicosideFormula:
C29H36O17Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OC1C(CO)OC(OCC(O)c2ccc(O)c(O)c2)C(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
O=C(O)C=Cc1ccc(O)c(O)c1.OCC(O)c1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.48 |
| AlogP: | -2.55 | Num_rotatable_bonds: | 11 |
| MolWt: | 656.59 | Num_heavy_atoms: | 46 |
| TPSA: | 285.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD00127
Formula: C9H8O4
Smiles:
O=C(O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 180.16 | Num_heavy_atoms: | 13 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
AD44929
Formula: C8H10O4
Smiles:
OCC(O)c1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 2 |
| MolWt: | 170.16 | Num_heavy_atoms: | 12 |
| TPSA: | 80.92 | NumAromaticRings: | 1 |
