Glycoside
GD154830
Name:
Glypentoside CFormula:
C38H44O18Smiles:
COc1ccc(OC2OC(CO)C(O)C(O)C2OC2OCC(O)(COC(=O)C=Cc3cc(OC)c4c(c3)C(CO)C(c3ccc(O)c(OC)c3)O4)C2O)cc1OAglycone:
COC(=O)C=Cc1cc(OC)c2c(c1)C(CO)C(c1ccc(O)c(OC)c1)O2.COc1ccc(O)cc1OSugarmoiety:
OCC1OC(O)C(OC2OCC(O)(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.45 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 14 |
| MolWt: | 788.75 | Num_heavy_atoms: | 56 |
| TPSA: | 261.98 | NumAromaticRings: | 3 |
Unique Aglycone
AD46454
Formula: C21H22O7
Smiles:
COC(=O)C=Cc1cc(OC)c2c(c1)C(CO)C(c1ccc(O)c(OC)c1)O2| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 6 |
| MolWt: | 386.4 | Num_heavy_atoms: | 28 |
| TPSA: | 94.45 | NumAromaticRings: | 2 |
AD56215
Formula: C7H8O3
Smiles:
COc1ccc(O)cc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 1 |
| MolWt: | 140.14 | Num_heavy_atoms: | 10 |
| TPSA: | 49.69 | NumAromaticRings: | 1 |
