Glycoside
GD151229
Name:
3-{[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)methyl]oxan-2-yl]oxy}-6-hydroxy-2-methyl-1-(prop-1-en-2-yloxy)-9,10-dihydroanthracene-9,10-dioneFormula:
C31H36O13Smiles:
C=C(C)Oc1c(C)c(OC2OC(CO)C(CC3OC(C)C(O)C(O)C3O)C(O)C2O)cc2c1C(=O)c1ccc(O)cc1C2=OAglycone:
C=C(C)Oc1c(C)c(O)cc2c1C(=O)c1ccc(O)cc1C2=OSugarmoiety:
CC1OC(CC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.48 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 7 |
| MolWt: | 616.62 | Num_heavy_atoms: | 44 |
| TPSA: | 212.67 | NumAromaticRings: | 2 |
Unique Aglycone
AD60334
Formula: C18H14O5
Smiles:
C=C(C)Oc1c(C)c(O)cc2c1C(=O)c1ccc(O)cc1C2=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.11 |
| AlogP: | 3.09 | Num_rotatable_bonds: | 2 |
| MolWt: | 310.31 | Num_heavy_atoms: | 23 |
| TPSA: | 83.83 | NumAromaticRings: | 2 |
