Glycoside
GD138434
Name:
4,9-dihydroxy-10-oxo-9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracene-2-carboxylic acidFormula:
C27H30O16Smiles:
O=C(O)c1cc(O)c2c(c1)C(O)(C1OC(CO)C(O)C(O)C1O)c1cccc(OC3OC(CO)C(O)C(O)C3O)c1C2=OAglycone:
O=C(O)c1cc(O)c2c(c1)C(O)c1cccc(O)c1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.48 |
| AlogP: | -4.11 | Num_rotatable_bonds: | 6 |
| MolWt: | 610.52 | Num_heavy_atoms: | 43 |
| TPSA: | 284.36 | NumAromaticRings: | 2 |
Unique Aglycone
AD55877
Formula: C15H10O6
Smiles:
O=C(O)c1cc(O)c2c(c1)C(O)c1cccc(O)c1C2=O| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.07 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 1 |
| MolWt: | 286.24 | Num_heavy_atoms: | 21 |
| TPSA: | 115.06 | NumAromaticRings: | 2 |
