Glycoside
GD129770
Name:
Okanin 4-Methyl Ether 4'-O-(6''-O-P-Coumaroylglucoside)Formula:
C31H30O13Smiles:
COc1ccc(C=CC(=O)c2ccc(OC3OC(COC(=O)C=Cc4ccc(O)cc4)C(O)C(O)C3O)c(O)c2O)cc1OAglycone:
COC(=O)C=Cc1ccc(O)cc1.COc1ccc(C=CC(=O)c2ccc(O)c(O)c2O)cc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.23 |
| AlogP: | 1.86 | Num_rotatable_bonds: | 10 |
| MolWt: | 610.57 | Num_heavy_atoms: | 44 |
| TPSA: | 212.67 | NumAromaticRings: | 3 |
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 |
AD21954
Formula: C16H14O6
Smiles:
COc1ccc(C=CC(=O)c2ccc(O)c(O)c2O)cc1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.06 |
| AlogP: | 2.41 | Num_rotatable_bonds: | 4 |
| MolWt: | 302.28 | Num_heavy_atoms: | 22 |
| TPSA: | 107.22 | NumAromaticRings: | 2 |
