Glycoside
GD146063
Name:
(3,4-dihydroxy-6-{[3-hydroxy-2,5-bis(hydroxymethyl)-4-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}oxolan-2-yl]oxy}-5-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}oxan-2-yl)methyl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C39H40O17Smiles:
O=C(C=Cc1ccc(O)cc1)OCC1OC(OC2(CO)OC(CO)C(OC(=O)C=Cc3ccc(O)cc3)C2O)C(OC(=O)C=Cc2ccc(O)cc2)C(O)C1OAglycone:
COC(=O)C=Cc1ccc(O)cc1.O=C(O)C=Cc1ccc(O)cc1.O=C(O)C=Cc1ccc(O)cc1Sugarmoiety:
OCC1OC(CO)(OC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.31 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 14 |
| MolWt: | 780.73 | Num_heavy_atoms: | 56 |
| TPSA: | 268.43 | 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 |
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 |
