Glycoside
GD156813
Name:
[6-hydroxy-4-(4-hydroxy-3,5-dimethoxyphenyl)-5,7-dimethoxy-3-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}-1,2,3,4-tetrahydronaphthalen-2-yl]methyl 3,4,5-trihydroxybenzoateFormula:
C34H40O16Smiles:
COc1cc(C2c3c(cc(OC)c(O)c3OC)CC(COC(=O)c3cc(O)c(O)c(O)c3)C2COC2OCC(O)C(O)C2O)cc(OC)c1OAglycone:
COc1cc(C2c3c(cc(OC)c(O)c3OC)CC(COC(=O)c3cc(O)c(O)c(O)c3)C2CO)cc(OC)c1OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.44 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 11 |
| MolWt: | 704.68 | Num_heavy_atoms: | 50 |
| TPSA: | 243.52 | NumAromaticRings: | 3 |
Unique Aglycone
AD62051
Formula: C29H32O12
Smiles:
COc1cc(C2c3c(cc(OC)c(O)c3OC)CC(COC(=O)c3cc(O)c(O)c(O)c3)C2CO)cc(OC)c1O| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.34 |
| AlogP: | 3.02 | Num_rotatable_bonds: | 9 |
| MolWt: | 572.56 | Num_heavy_atoms: | 41 |
| TPSA: | 184.6 | NumAromaticRings: | 3 |
