Glycoside
GD124386
Name:
5-hydroxy-9,10-dioxo-1-(2-phenylethenyl)-6-(piperidin-4-yl)-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-9,10-dihydroanthracen-2-yl acetateFormula:
C35H35O10NSmiles:
CC(=O)Oc1ccc2c(c1C=Cc1ccccc1)C(=O)c1cc(OC3OC(C)C(O)C(O)C3O)c(C3CCNCC3)c(O)c1C2=OAglycone:
CC(=O)Oc1ccc2c(c1C=Cc1ccccc1)C(=O)c1cc(O)c(C3CCNCC3)c(O)c1C2=OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.34 |
| AlogP: | 2.94 | Num_rotatable_bonds: | 6 |
| MolWt: | 629.66 | Num_heavy_atoms: | 46 |
| TPSA: | 171.85 | NumAromaticRings: | 3 |
Unique Aglycone
AD50244
Formula: C29H25O6N
Smiles:
CC(=O)Oc1ccc2c(c1C=Cc1ccccc1)C(=O)c1cc(O)c(C3CCNCC3)c(O)c1C2=O| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.21 |
| AlogP: | 4.44 | Num_rotatable_bonds: | 4 |
| MolWt: | 483.52 | Num_heavy_atoms: | 36 |
| TPSA: | 112.93 | NumAromaticRings: | 3 |
