Glycoside
GD143384
Name:
Codonoside AFormula:
C38H48O20Smiles:
COc1cc(C=CCOC(=O)CC(C)(CC(=O)O)OC2OC(COC(=O)C=Cc3ccc(O)cc3)C(O)C(O)C2O)cc(OC)c1OC1OC(CO)C(O)C(O)C1OAglycone:
COC(=O)C=Cc1ccc(O)cc1.COc1cc(C=CCOC(=O)CC(C)(O)CC(=O)O)cc(OC)c1OSugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.5 |
| AlogP: | -1.15 | Num_rotatable_bonds: | 18 |
| MolWt: | 824.78 | Num_heavy_atoms: | 58 |
| TPSA: | 307.12 | NumAromaticRings: | 2 |
Unique Aglycone
AD00020
Formula: C10H10O3
Smiles:
COC(=O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD44933
Formula: C17H22O8
Smiles:
COc1cc(C=CCOC(=O)CC(C)(O)CC(=O)O)cc(OC)c1O| HBA: | 8 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.41 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 9 |
| MolWt: | 354.36 | Num_heavy_atoms: | 25 |
| TPSA: | 122.52 | NumAromaticRings: | 1 |
