Glycoside
GD037219
Name:
(3,4,5-trihydroxy-6-{4-hydroxy-2,3-bis[(4-hydroxy-3,5-dimethoxyphenyl)methyl]butoxy}oxan-2-yl)methyl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoateFormula:
C39H50O17Smiles:
COc1cc(C=CC(=O)OC[C@@H]2O[C@H](OC[C@H](Cc3cc(OC)c(O)c(OC)c3)[C@H](CO)Cc3cc(OC)c(O)c(OC)c3)[C@H](O)[C@H](O)[C@H]2O)cc(OC)c1OAglycone:
COC(=O)C=Cc1cc(OC)c(O)c(OC)c1.COc1cc(CC(CO)C(CO)Cc2cc(OC)c(O)c(OC)c2)cc(OC)c1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.46 |
| AlogP: | 1.95 | Num_rotatable_bonds: | 19 |
| MolWt: | 790.81 | Num_heavy_atoms: | 56 |
| TPSA: | 241.75 | NumAromaticRings: | 3 |
Unique Aglycone
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 |
AD12179
Formula: C22H30O8
Smiles:
COc1cc(CC(CO)C(CO)Cc2cc(OC)c(O)c(OC)c2)cc(OC)c1O| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 2.13 | Num_rotatable_bonds: | 11 |
| MolWt: | 422.47 | Num_heavy_atoms: | 30 |
| TPSA: | 117.84 | NumAromaticRings: | 2 |
