Glycoside
GD123280
Name:
5-hydroxy-4-(hydroxymethyl)-9,10-dioxo-6-(3-phenylpropyl)-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-9,10-dihydroanthracen-2-yl acetateFormula:
C32H32O11Smiles:
CC(=O)Oc1cc(CO)c2c(c1)C(=O)c1cc(OC3OC(C)C(O)C(O)C3O)c(CCCc3ccccc3)c(O)c1C2=OAglycone:
CC(=O)Oc1cc(CO)c2c(c1)C(=O)c1cc(O)c(CCCc3ccccc3)c(O)c1C2=OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.34 |
| AlogP: | 1.97 | Num_rotatable_bonds: | 8 |
| MolWt: | 592.6 | Num_heavy_atoms: | 43 |
| TPSA: | 180.05 | NumAromaticRings: | 3 |
Unique Aglycone
AD49732
Formula: C26H22O7
Smiles:
CC(=O)Oc1cc(CO)c2c(c1)C(=O)c1cc(O)c(CCCc3ccccc3)c(O)c1C2=O| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.19 |
| AlogP: | 3.47 | Num_rotatable_bonds: | 6 |
| MolWt: | 446.46 | Num_heavy_atoms: | 33 |
| TPSA: | 121.13 | NumAromaticRings: | 3 |
