Glycoside
GD138674
Name:
6-[4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9,10-dihydroanthracen-9-yl]-3,4,5-trihydroxyoxan-2-yl benzoateFormula:
C27H24O10Smiles:
O=C(OC1OC(C2c3cccc(O)c3C(=O)c3c(O)cc(CO)cc32)C(O)C(O)C1O)c1ccccc1Aglycone:
O=C(O)c1ccccc1.O=C1c2c(O)cccc2Cc2cc(CO)cc(O)c21Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.26 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 4 |
| MolWt: | 508.48 | Num_heavy_atoms: | 37 |
| TPSA: | 173.98 | 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 |
AD00446
Formula: C15H12O4
Smiles:
O=C1c2c(O)cccc2Cc2cc(CO)cc(O)c21| HBA: | 4 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.13 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 1 |
| MolWt: | 256.26 | Num_heavy_atoms: | 19 |
| TPSA: | 77.76 | NumAromaticRings: | 2 |
