Glycoside
GD017204
Name:
{3,4-dihydroxy-6-[(4-hydroxy-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:
C29H32O14Smiles:
CC(=O)OC[C@@H]1O[C@H](Oc2cc3c(c(O)c2C)C(=O)c2ccccc2C3=O)[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1OAglycone:
COC(C)=O.Cc1c(O)cc2c(c1O)C(=O)c1ccccc1C2=OSugarmoiety:
CC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | -0.92 | Num_rotatable_bonds: | 6 |
| MolWt: | 604.56 | Num_heavy_atoms: | 43 |
| TPSA: | 218.74 | 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 |
AD12307
Formula: C15H10O4
Smiles:
Cc1c(O)cc2c(c1O)C(=O)c1ccccc1C2=O| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 2.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 254.24 | Num_heavy_atoms: | 19 |
| TPSA: | 74.6 | NumAromaticRings: | 2 |
