Glycoside

GD153645
Name:
5-hydroxy-4-(hydroxymethyl)-9,10-dioxo-1-(2-phenylethenyl)-6-(piperidin-4-yl)-7-[(3,4,4,5-tetrahydroxy-6-methyloxan-2-yl)oxy]-9,10-dihydroanthracen-2-yl acetateFormula:
C36H37O12NSmiles:
CC(=O)Oc1cc(CO)c2c(c1C=Cc1ccccc1)C(=O)c1cc(OC3OC(C)C(O)C(O)(O)C3O)c(C3CCNCC3)c(O)c1C2=OAglycone:
CC(=O)Oc1cc(CO)c2c(c1C=Cc1ccccc1)C(=O)c1cc(O)c(C3CCNCC3)c(O)c1C2=OSugarmoiety:
CC1OC(O)C(O)C(O)(O)C1OOther Identifiers
Properties
HBA: | 13 | RingCount: | 6 |
HBD: | 7 | FractionCSP3: | 0.36 |
AlogP: | 1.75 | Num_rotatable_bonds: | 7 |
MolWt: | 675.69 | Num_heavy_atoms: | 49 |
TPSA: | 212.31 | NumAromaticRings: | 3 |
Unique Aglycone
AD48341
Formula: C30H27O7N
Smiles:
CC(=O)Oc1cc(CO)c2c(c1C=Cc1ccccc1)C(=O)c1cc(O)c(C3CCNCC3)c(O)c1C2=OHBA: | 8 | RingCount: | 5 |
HBD: | 4 | FractionCSP3: | 0.23 |
AlogP: | 3.93 | Num_rotatable_bonds: | 5 |
MolWt: | 513.55 | Num_heavy_atoms: | 38 |
TPSA: | 133.16 | NumAromaticRings: | 3 |