Glycoside
GD136285
Name:
3-(acetyloxy)-5-hydroxy-2-[(5-hydroxy-7-methyl-9,10-dioxo-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracen-2-yl)oxy]-6-methyloxan-4-yl acetateFormula:
C31H34O16Smiles:
CC(=O)OC1C(Oc2cc(OC3OC(CO)C(O)C(O)C3O)c3c(c2)C(=O)c2cc(C)cc(O)c2C3=O)OC(C)C(O)C1OC(C)=OAglycone:
Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=OSugarmoiety:
CC(=O)OC1C(O)OC(C)C(O)C1OC(C)=O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | -1.0 | Num_rotatable_bonds: | 7 |
| MolWt: | 662.6 | Num_heavy_atoms: | 47 |
| TPSA: | 245.04 | NumAromaticRings: | 2 |
Unique Aglycone
AD00700
Formula: C15H10O5
Smiles:
Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 0 |
| MolWt: | 270.24 | Num_heavy_atoms: | 20 |
| TPSA: | 94.83 | NumAromaticRings: | 2 |
