Glycoside
GD114589
Name:
2,3,4,5-tetrahydroxy-6-oxo-3-[(2,3,4,5-tetrahydroxy-6-oxohexyl)oxy]hexyl 2,3,4,5-tetrahydroxy-6-[(8-hydroxy-6-methyl-9,10-dioxo-9,10-dihydroanthracen-1-yl)oxy]hexanoateFormula:
C33H40O21Smiles:
Cc1cc(O)c2c(c1)C(=O)c1cccc(OCC(O)C(O)C(O)C(O)C(=O)OCC(O)C(O)(OCC(O)C(O)C(O)C(O)C=O)C(O)C(O)C=O)c1C2=OAglycone:
Cc1cc(O)c2c(c1)C(=O)c1ccccc1C2=OSugarmoiety:
O=CC(O)C(O)C(O)C(O)COC(O)(C(O)COC(=O)C(O)C(O)C(O)C(O)COO)C(O)C(O)C=OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 3 |
| HBD: | 13 | FractionCSP3: | 0.48 |
| AlogP: | -6.53 | Num_rotatable_bonds: | 20 |
| MolWt: | 772.66 | Num_heavy_atoms: | 54 |
| TPSA: | 376.03 | NumAromaticRings: | 2 |
Unique Aglycone
AD45150
Formula: C15H10O3
Smiles:
Cc1cc(O)c2c(c1)C(=O)c1ccccc1C2=O| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.07 |
| AlogP: | 2.48 | Num_rotatable_bonds: | 0 |
| MolWt: | 238.24 | Num_heavy_atoms: | 18 |
| TPSA: | 54.37 | NumAromaticRings: | 2 |
