Glycoside
GD157119
Name:
2,3-Dihydro-9-Hydroxy-2-[1-(6-Feruloyl)-Beta-D-Glucosyloxy-1-Methylethyl]-7H-Furo[3,2-G][1]Benzopyran-7-OneFormula:
C30H32O13Smiles:
COc1cc(C=CC(=O)OCC2OC(OC(C)(C)C3Cc4cc5ccc(=O)oc5c(O)c4O3)C(O)C(O)C2O)ccc1OAglycone:
CC(C)(O)C1Cc2cc3ccc(=O)oc3c(O)c2O1.COC(=O)C=Cc1ccc(O)c(OC)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 8 |
| MolWt: | 600.57 | Num_heavy_atoms: | 43 |
| TPSA: | 194.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD00132
Formula: C11H12O4
Smiles:
COC(=O)C=Cc1ccc(O)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 208.21 | Num_heavy_atoms: | 15 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
AD00868
Formula: C14H14O5
Smiles:
CC(C)(O)C1Cc2cc3ccc(=O)oc3c(O)c2O1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 1 |
| MolWt: | 262.26 | Num_heavy_atoms: | 19 |
| TPSA: | 79.9 | NumAromaticRings: | 2 |
