Glycoside
GD151141
Name:
{6-[4,5-dihydroxy-2-(hydroxymethyl)-9-methyl-10-oxo-9,10-dihydroanthracen-9-yl]-3,4,5-trihydroxyoxan-2-yl}methyl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C31H30O11Smiles:
CC1(C2OC(COC(=O)C=Cc3ccc(O)cc3)C(O)C(O)C2O)c2cccc(O)c2C(=O)c2c(O)cc(CO)cc21Aglycone:
CC1c2cccc(O)c2C(=O)c2c(O)cc(CO)cc21.COC(=O)C=Cc1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.29 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 6 |
| MolWt: | 578.57 | Num_heavy_atoms: | 42 |
| TPSA: | 194.21 | 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 |
AD60306
Formula: C16H14O4
Smiles:
CC1c2cccc(O)c2C(=O)c2c(O)cc(CO)cc21| HBA: | 4 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.19 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 1 |
| MolWt: | 270.28 | Num_heavy_atoms: | 20 |
| TPSA: | 77.76 | NumAromaticRings: | 2 |
