Glycoside
GD140042
Name:
6-[(4,7-dihydroxy-3-methyl-9,10-dioxo-9,10-dihydroanthracen-2-yl)oxy]-3,4-dihydroxy-5-[(3,4,5,6-tetrahydroxyoxan-2-yl)oxy]oxan-2-yl acetateFormula:
C27H28O16Smiles:
CC(=O)OC1OC(Oc2cc3c(c(O)c2C)C(=O)c2ccc(O)cc2C3=O)C(OC2OC(O)C(O)C(O)C2O)C(O)C1OAglycone:
Cc1c(O)cc2c(c1O)C(=O)c1ccc(O)cc1C2=OSugarmoiety:
CC(=O)OC1OC(O)C(OC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.44 |
| AlogP: | -2.33 | Num_rotatable_bonds: | 5 |
| MolWt: | 608.51 | Num_heavy_atoms: | 43 |
| TPSA: | 259.2 | NumAromaticRings: | 2 |
Unique Aglycone
AD08670
Formula: C15H10O5
Smiles:
Cc1c(O)cc2c(c1O)C(=O)c1ccc(O)cc1C2=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 |
