Glycoside

GD115793
Name:
6-{[3-(diaminomethyl)phenyl]methyl}-1-(3,4-dihydronaphthalen-2-yl)-5-hydroxy-9,10-dioxo-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-9,10-dihydroanthracen-2-yl acetateFormula:
C40H38O10N2Smiles:
CC(=O)Oc1ccc2c(c1C1=Cc3ccccc3CC1)C(=O)c1cc(OC3OC(C)C(O)C(O)C3O)c(Cc3cccc(C(N)N)c3)c(O)c1C2=OAglycone:
CC(=O)Oc1ccc2c(c1C1=Cc3ccccc3CC1)C(=O)c1cc(O)c(Cc3cccc(C(N)N)c3)c(O)c1C2=OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 12 | RingCount: | 7 |
HBD: | 8 | FractionCSP3: | 0.28 |
AlogP: | 3.29 | Num_rotatable_bonds: | 7 |
MolWt: | 706.75 | Num_heavy_atoms: | 52 |
TPSA: | 211.86 | NumAromaticRings: | 4 |
Unique Aglycone
AD45868
Formula: C34H28O6N2
Smiles:
CC(=O)Oc1ccc2c(c1C1=Cc3ccccc3CC1)C(=O)c1cc(O)c(Cc3cccc(C(N)N)c3)c(O)c1C2=OHBA: | 8 | RingCount: | 6 |
HBD: | 6 | FractionCSP3: | 0.15 |
AlogP: | 4.79 | Num_rotatable_bonds: | 5 |
MolWt: | 560.61 | Num_heavy_atoms: | 42 |
TPSA: | 152.94 | NumAromaticRings: | 4 |