Glycoside
GD143424
Name:
4-[(3,4-dihydroxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-5-hydroxy-2-(hydroxymethyl)-6-{[3-(4-hydroxyphenyl)prop-2-en-1-yl]oxy}oxan-3-yl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C36H46O18Smiles:
CC1OC(OC2C(O)C(OCC=Cc3ccc(O)cc3)OC(CO)C2OC(=O)C=Cc2ccc(O)cc2)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
O=C(O)C=Cc1ccc(O)cc1.OCC=Cc1ccc(O)cc1Sugarmoiety:
CC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.53 |
| AlogP: | -2.13 | Num_rotatable_bonds: | 13 |
| MolWt: | 766.75 | Num_heavy_atoms: | 54 |
| TPSA: | 283.98 | 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 |
AD16632
Formula: C9H10O2
Smiles:
OCC=Cc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.11 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 2 |
| MolWt: | 150.18 | Num_heavy_atoms: | 11 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
