Glycoside
GD156920
Name:
[6-({2-[(4,7-dihydroxy-3-methyl-9,10-dioxo-9,10-dihydroanthracen-2-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl acetateFormula:
C29H32O16Smiles:
CC(=O)OCC1OC(OC2C(Oc3cc4c(c(O)c3C)C(=O)c3ccc(O)cc3C4=O)OC(CO)C(O)C2O)C(O)C(O)C1OAglycone:
COC(C)=O.Cc1c(O)cc2c(c1O)C(=O)c1ccc(O)cc1C2=OSugarmoiety:
OCC1OC(O)C(OC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.48 |
| AlogP: | -2.24 | Num_rotatable_bonds: | 7 |
| MolWt: | 636.56 | Num_heavy_atoms: | 45 |
| TPSA: | 259.2 | 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 |
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 |
