Glycoside
GD129124
Name:
6-{[2-formyl-3-(hydroxymethyl)phenyl]methyl}-5-hydroxy-4-(hydroxymethyl)-1-(naphthalen-2-yl)-9,10-dioxo-7-[(3,4,4,5-tetrahydroxy-6-methyloxan-2-yl)oxy]-9,10-dihydroanthracen-2-yl acetateFormula:
C42H36O14Smiles:
CC(=O)Oc1cc(CO)c2c(c1-c1ccc3ccccc3c1)C(=O)c1cc(OC3OC(C)C(O)C(O)(O)C3O)c(Cc3cccc(CO)c3C=O)c(O)c1C2=OAglycone:
CC(=O)Oc1cc(CO)c2c(c1-c1ccc3ccccc3c1)C(=O)c1cc(O)c(Cc3cccc(CO)c3C=O)c(O)c1C2=OSugarmoiety:
CC1OC(O)C(O)C(O)(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.24 |
| AlogP: | 2.83 | Num_rotatable_bonds: | 9 |
| MolWt: | 764.74 | Num_heavy_atoms: | 56 |
| TPSA: | 237.58 | NumAromaticRings: | 5 |
Unique Aglycone
AD52302
Formula: C36H26O9
Smiles:
CC(=O)Oc1cc(CO)c2c(c1-c1ccc3ccccc3c1)C(=O)c1cc(O)c(Cc3cccc(CO)c3C=O)c(O)c1C2=O| HBA: | 9 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.11 |
| AlogP: | 5.01 | Num_rotatable_bonds: | 7 |
| MolWt: | 602.6 | Num_heavy_atoms: | 45 |
| TPSA: | 158.43 | NumAromaticRings: | 5 |
