Glycoside
GD132225
Name:
{3,4,5-trihydroxy-6-[(4-hydroxy-3-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-2,5-bis({[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxolan-2-yl)oxy]oxan-2-yl}methyl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C48H46O19Smiles:
O=C(C=Cc1ccc(O)cc1)OCC1OC(OC2(COC(=O)C=Cc3ccc(O)cc3)OC(COC(=O)C=Cc3ccc(O)cc3)C(O)C2OC(=O)C=Cc2ccc(O)cc2)C(O)C(O)C1OAglycone:
COC(=O)C=Cc1ccc(O)cc1.COC(=O)C=Cc1ccc(O)cc1.COC(=O)C=Cc1ccc(O)cc1.O=C(O)C=Cc1ccc(O)cc1Sugarmoiety:
OC1OC(OC2(O)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.25 |
| AlogP: | 2.48 | Num_rotatable_bonds: | 17 |
| MolWt: | 926.88 | Num_heavy_atoms: | 67 |
| TPSA: | 294.73 | NumAromaticRings: | 4 |
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 |
AD00021
Formula: C9H8O3
Smiles:
O=C(O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 164.16 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
