Glycoside
GD136837
Name:
{3,4,5-trihydroxy-6-[4,5,9-trihydroxy-2-(hydroxymethyl)-10-oxo-9,10-dihydroanthracen-9-yl]oxan-2-yl}methyl acetateFormula:
C23H24O11Smiles:
CC(=O)OCC1OC(C2(O)c3cccc(O)c3C(=O)c3c(O)cc(CO)cc32)C(O)C(O)C1OAglycone:
COC(C)=O.O=C1c2c(O)cccc2C(O)c2cc(CO)cc(O)c21Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.39 |
| AlogP: | -1.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 476.43 | Num_heavy_atoms: | 34 |
| TPSA: | 194.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD00126
Formula: C15H12O5
Smiles:
O=C1c2c(O)cccc2C(O)c2cc(CO)cc(O)c21| HBA: | 5 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.13 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 1 |
| MolWt: | 272.26 | Num_heavy_atoms: | 20 |
| TPSA: | 97.99 | NumAromaticRings: | 2 |
