Glycoside
GD119597
Name:
9,10-dioxo-4,5-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-9,10-dihydroanthracene-2-carboxylic acidFormula:
C27H28O16Smiles:
O=C(O)c1cc(OC2OC(CO)C(O)C(O)C2O)c2c(c1)C(=O)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: | 9 | FractionCSP3: | 0.44 |
| AlogP: | -3.48 | Num_rotatable_bonds: | 7 |
| MolWt: | 608.51 | Num_heavy_atoms: | 43 |
| TPSA: | 270.2 | NumAromaticRings: | 2 |
Unique Aglycone
AD40245
Formula: C15H8O6
Smiles:
O=C(O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 1 |
| MolWt: | 284.22 | Num_heavy_atoms: | 21 |
| TPSA: | 111.9 | NumAromaticRings: | 2 |
