Glycoside
GD136014
Name:
5-hydroxy-2-(hydroxymethyl)-6-[2-(3-hydroxyphenyl)ethoxy]-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C29H36O13Smiles:
CC1OC(OC2C(O)C(OCCc3cccc(O)c3)OC(CO)C2OC(=O)C=Cc2ccc(O)cc2)C(O)C(O)C1OAglycone:
O=C(O)C=Cc1ccc(O)cc1.OCCc1cccc(O)c1Sugarmoiety:
CC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.48 |
| AlogP: | -0.43 | Num_rotatable_bonds: | 10 |
| MolWt: | 592.59 | Num_heavy_atoms: | 42 |
| TPSA: | 204.83 | NumAromaticRings: | 2 |
Unique Aglycone
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 |
AD48192
Formula: C8H10O2
Smiles:
OCCc1cccc(O)c1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 2 |
| MolWt: | 138.17 | Num_heavy_atoms: | 10 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
