Glycoside

GD130999
Name:
N'-[(3-cyclohexyl-1-hydroxy-6-methoxy-9,10-dioxo-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracen-2-yl)methyl]-N-methylguanidineFormula:
C30H37O10N3Smiles:
CNC(=N)NCc1c(C2CCCCC2)cc2c(c1O)C(=O)c1c(OC3OC(CO)C(O)C(O)C3O)cc(OC)cc1C2=OAglycone:
CNC(=N)NCc1c(C2CCCCC2)cc2c(c1O)C(=O)c1c(O)cc(OC)cc1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 13 | RingCount: | 5 |
HBD: | 8 | FractionCSP3: | 0.5 |
AlogP: | 0.65 | Num_rotatable_bonds: | 7 |
MolWt: | 599.64 | Num_heavy_atoms: | 43 |
TPSA: | 210.89 | NumAromaticRings: | 2 |
Unique Aglycone
AD53087
Formula: C24H27O5N3
Smiles:
CNC(=N)NCc1c(C2CCCCC2)cc2c(c1O)C(=O)c1c(O)cc(OC)cc1C2=OHBA: | 8 | RingCount: | 4 |
HBD: | 5 | FractionCSP3: | 0.38 |
AlogP: | 3.17 | Num_rotatable_bonds: | 4 |
MolWt: | 437.5 | Num_heavy_atoms: | 32 |
TPSA: | 131.74 | NumAromaticRings: | 2 |