Glycoside
GD141552
Name:
5-hydroxy-4-(hydroxymethyl)-6-(3-hydroxypropyl)-9,10-dioxo-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-9,10-dihydroanthracen-2-yl acetateFormula:
C26H28O12Smiles:
CC(=O)Oc1cc(CO)c2c(c1)C(=O)c1cc(OC3OC(C)C(O)C(O)C3O)c(CCCO)c(O)c1C2=OAglycone:
CC(=O)Oc1cc(CO)c2c(c1)C(=O)c1cc(O)c(CCCO)c(O)c1C2=OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.42 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 7 |
| MolWt: | 532.5 | Num_heavy_atoms: | 38 |
| TPSA: | 200.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD57013
Formula: C20H18O8
Smiles:
CC(=O)Oc1cc(CO)c2c(c1)C(=O)c1cc(O)c(CCCO)c(O)c1C2=O| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 5 |
| MolWt: | 386.36 | Num_heavy_atoms: | 28 |
| TPSA: | 141.36 | NumAromaticRings: | 2 |
