Glycoside
GD145946
Name:
3,4,5-trihydroxy-6-{2,5,9-trihydroxy-7-methyl-10-oxo-4-[(3,4,5-trihydroxy-6-methoxyoxan-2-yl)oxy]-9,10-dihydroanthracen-9-yl}oxan-2-yl benzoateFormula:
C33H34O16Smiles:
COC1OC(Oc2cc(O)cc3c2C(=O)c2c(O)cc(C)cc2C3(O)C2OC(OC(=O)c3ccccc3)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
Cc1cc(O)c2c(c1)C(O)c1cc(O)cc(O)c1C2=O.O=C(O)c1ccccc1Sugarmoiety:
COC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.39 |
| AlogP: | -1.36 | Num_rotatable_bonds: | 6 |
| MolWt: | 686.62 | Num_heavy_atoms: | 49 |
| TPSA: | 262.36 | NumAromaticRings: | 3 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD02076
Formula: C15H12O5
Smiles:
Cc1cc(O)c2c(c1)C(O)c1cc(O)cc(O)c1C2=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.13 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 272.26 | Num_heavy_atoms: | 20 |
| TPSA: | 97.99 | NumAromaticRings: | 2 |
