Glycoside
GD138100
Name:
[3-(acetyloxy)-6-{2,3-dihydroxy-4-[3-(4-hydroxyphenyl)prop-2-enoyl]phenoxy}-4,5-dihydroxyoxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C32H30O13Smiles:
CC(=O)OC1C(COC(=O)C=Cc2ccc(O)cc2)OC(Oc2ccc(C(=O)C=Cc3ccc(O)cc3)c(O)c2O)C(O)C1OAglycone:
COC(=O)C=Cc1ccc(O)cc1.O=C(C=Cc1ccc(O)cc1)c1ccc(O)c(O)c1OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.22 |
| AlogP: | 2.42 | Num_rotatable_bonds: | 10 |
| MolWt: | 622.58 | Num_heavy_atoms: | 45 |
| TPSA: | 209.51 | NumAromaticRings: | 3 |
Unique Aglycone
AD00020
Formula: C10H10O3
Smiles:
COC(=O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD13415
Formula: C15H12O5
Smiles:
O=C(C=Cc1ccc(O)cc1)c1ccc(O)c(O)c1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.41 | Num_rotatable_bonds: | 3 |
| MolWt: | 272.26 | Num_heavy_atoms: | 20 |
| TPSA: | 97.99 | NumAromaticRings: | 2 |
