Glycoside
GD137991
Name:
3-[(3,4-dihydroxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-6-hydroxy-2-methyl-9,10-dioxo-9,10-dihydroanthracen-1-yl acetateFormula:
C29H32O15Smiles:
CC(=O)Oc1c(C)c(OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)cc2c1C(=O)c1ccc(O)cc1C2=OAglycone:
CC(=O)Oc1c(C)c(O)cc2c1C(=O)c1ccc(O)cc1C2=OSugarmoiety:
CC1OC(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.48 |
| AlogP: | -1.57 | Num_rotatable_bonds: | 6 |
| MolWt: | 620.56 | Num_heavy_atoms: | 44 |
| TPSA: | 238.97 | NumAromaticRings: | 2 |
Unique Aglycone
AD55720
Formula: C17H12O6
Smiles:
CC(=O)Oc1c(C)c(O)cc2c1C(=O)c1ccc(O)cc1C2=O| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 2.11 | Num_rotatable_bonds: | 1 |
| MolWt: | 312.28 | Num_heavy_atoms: | 23 |
| TPSA: | 100.9 | NumAromaticRings: | 2 |
