Glycoside
GD119270
Name:
4'-O-Methylcarthamidin 7-(2-P-Coumaroylglucoside)Formula:
C31H30O13Smiles:
COc1ccc(C2CC(=O)c3c(cc(OC4OC(CO)C(O)C(O)C4OC(=O)C=Cc4ccc(O)cc4)c(O)c3O)O2)cc1Aglycone:
COc1ccc(C2CC(=O)c3c(cc(O)c(O)c3O)O2)cc1.O=C(O)C=Cc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.29 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 8 |
| MolWt: | 610.57 | Num_heavy_atoms: | 44 |
| TPSA: | 201.67 | NumAromaticRings: | 3 |
Unique Aglycone
AD00021
Formula: C9H8O3
Smiles:
O=C(O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 164.16 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
AD47753
Formula: C16H14O6
Smiles:
COc1ccc(C2CC(=O)c3c(cc(O)c(O)c3O)O2)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.19 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 2 |
| MolWt: | 302.28 | Num_heavy_atoms: | 22 |
| TPSA: | 96.22 | NumAromaticRings: | 2 |
