Glycoside
GD128191
Name:
(+)-2,3-Dihydro-9-Hydroxy-2[1-(6-Sinapinoyl)Beta-D-Glucosyloxy-1-Methylethyl]-7H-Furo[3,2-G][1]Benzopyran-7-OneFormula:
C31H34O14Smiles:
COc1cc(C=CC(=O)OCC2OC(OC(C)(C)C3Cc4cc5ccc(=O)oc5c(O)c4O3)C(O)C(O)C2O)cc(OC)c1OAglycone:
CC(C)(O)C1Cc2cc3ccc(=O)oc3c(O)c2O1.COC(=O)C=Cc1cc(OC)c(O)c(OC)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 9 |
| MolWt: | 630.6 | Num_heavy_atoms: | 45 |
| TPSA: | 203.81 | NumAromaticRings: | 3 |
Unique Aglycone
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 |
AD03982
Formula: C12H14O5
Smiles:
COC(=O)C=Cc1cc(OC)c(O)c(OC)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 4 |
| MolWt: | 238.24 | Num_heavy_atoms: | 17 |
| TPSA: | 64.99 | NumAromaticRings: | 1 |
