Glycoside
GD158174
Name:
{3,4-dihydroxy-6-[(7-hydroxy-4-methoxy-3-methyl-9,10-dioxo-9,10-dihydroanthracen-2-yl)oxy]-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}methyl acetateFormula:
C30H34O15Smiles:
COc1c(C)c(OC2OC(COC(C)=O)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)cc2c1C(=O)c1ccc(O)cc1C2=OAglycone:
COC(C)=O.COc1c(C)c(O)cc2c1C(=O)c1ccc(O)cc1C2=OSugarmoiety:
CC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 7 |
| MolWt: | 634.59 | Num_heavy_atoms: | 45 |
| TPSA: | 227.97 | 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 |
AD60627
Formula: C16H12O5
Smiles:
COc1c(C)c(O)cc2c1C(=O)c1ccc(O)cc1C2=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 2.19 | Num_rotatable_bonds: | 1 |
| MolWt: | 284.27 | Num_heavy_atoms: | 21 |
| TPSA: | 83.83 | NumAromaticRings: | 2 |
