Glycoside
GD153947
Name:
5-hydroxy-9,10-dioxo-6-(piperidin-4-yl)-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-9,10-dihydroanthracen-2-yl acetateFormula:
C27H29O10NSmiles:
CC(=O)Oc1ccc2c(c1)C(=O)c1cc(OC3OC(C)C(O)C(O)C3O)c(C3CCNCC3)c(O)c1C2=OAglycone:
CC(=O)Oc1ccc2c(c1)C(=O)c1cc(O)c(C3CCNCC3)c(O)c1C2=OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 4 |
| MolWt: | 527.53 | Num_heavy_atoms: | 38 |
| TPSA: | 171.85 | NumAromaticRings: | 2 |
Unique Aglycone
AD61184
Formula: C21H19O6N
Smiles:
CC(=O)Oc1ccc2c(c1)C(=O)c1cc(O)c(C3CCNCC3)c(O)c1C2=O| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 2.27 | Num_rotatable_bonds: | 2 |
| MolWt: | 381.38 | Num_heavy_atoms: | 28 |
| TPSA: | 112.93 | NumAromaticRings: | 2 |
