Glycoside
GD117096
Name:
5-hydroxy-4-(hydroxymethyl)-9,10-dioxo-6-(piperidin-4-yl)-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-9,10-dihydroanthracen-2-yl acetateFormula:
C28H31O11NSmiles:
CC(=O)Oc1cc(CO)c2c(c1)C(=O)c1cc(OC3OC(C)C(O)C(O)C3O)c(C3CCNCC3)c(O)c1C2=OAglycone:
CC(=O)Oc1cc(CO)c2c(c1)C(=O)c1cc(O)c(C3CCNCC3)c(O)c1C2=OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | 0.26 | Num_rotatable_bonds: | 5 |
| MolWt: | 557.55 | Num_heavy_atoms: | 40 |
| TPSA: | 192.08 | NumAromaticRings: | 2 |
Unique Aglycone
AD46636
Formula: C22H21O7N
Smiles:
CC(=O)Oc1cc(CO)c2c(c1)C(=O)c1cc(O)c(C3CCNCC3)c(O)c1C2=O| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 1.76 | Num_rotatable_bonds: | 3 |
| MolWt: | 411.41 | Num_heavy_atoms: | 30 |
| TPSA: | 133.16 | NumAromaticRings: | 2 |
