Glycoside
GD034604
Name:
2-[(9-acetyl-4,5-dihydroxy-7-methyl-10-oxo-9,10-dihydroanthracen-2-yl)oxy]-3-(acetyloxy)-5-hydroxy-6-methyloxan-4-yl acetateFormula:
C27H28O11Smiles:
CC(=O)O[C@@H]1[C@@H](Oc2cc(O)c3c(c2)C(C(C)=O)c2cc(C)cc(O)c2C3=O)O[C@@H](C)[C@@H](O)[C@H]1OC(C)=OAglycone:
CC(=O)C1c2cc(C)cc(O)c2C(=O)c2c(O)cc(O)cc21Sugarmoiety:
CC(=O)OC1C(O)OC(C)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.41 |
| AlogP: | 2.02 | Num_rotatable_bonds: | 5 |
| MolWt: | 528.51 | Num_heavy_atoms: | 38 |
| TPSA: | 165.89 | NumAromaticRings: | 2 |
Unique Aglycone
AD21979
Formula: C17H14O5
Smiles:
CC(=O)C1c2cc(C)cc(O)c2C(=O)c2c(O)cc(O)cc21| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.18 |
| AlogP: | 2.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 298.29 | Num_heavy_atoms: | 22 |
| TPSA: | 94.83 | NumAromaticRings: | 2 |
