Glycoside
GD130390
Name:
{3,4,5-trihydroxy-6-[4-(5-hydroxy-7-{[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}-4-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-2-yl)phenoxy]oxan-2-yl}methyl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoateFormula:
C49H50O23Smiles:
COc1cc(C=CC(=O)OCC2OC(Oc3ccc(-c4cc(=O)c5c(O)c(C6OC(CO)C(O)C(O)C6O)c(OC(=O)C=Cc6cc(OC)c(O)c(OC)c6)cc5o4)cc3)C(O)C(O)C2O)cc(OC)c1OAglycone:
COC(=O)C=Cc1cc(OC)c(O)c(OC)c1.COc1cc(C=CC(=O)Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)cc(OC)c1OSugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.33 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 16 |
| MolWt: | 1006.92 | Num_heavy_atoms: | 72 |
| TPSA: | 349.72 | NumAromaticRings: | 5 |
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 |
AD50006
Formula: C26H20O9
Smiles:
COc1cc(C=CC(=O)Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)cc(OC)c1O| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.08 |
| AlogP: | 4.21 | Num_rotatable_bonds: | 6 |
| MolWt: | 476.44 | Num_heavy_atoms: | 35 |
| TPSA: | 135.66 | NumAromaticRings: | 4 |
