Glycoside

GD153956
Name:
1',5,8'-trihydroxy-2,3'-dimethoxy-6',7-dimethyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9H,9'H,10H,10'H-[1,2'-bianthracene]-9,9',10,10'-tetroneFormula:
C38H32O15Smiles:
COc1cc2c(c(O)c1-c1c(OC)cc(OC3OC(CO)C(O)C(O)C3O)c3c1C(=O)c1cc(C)cc(O)c1C3=O)C(=O)c1c(O)cc(C)cc1C2=OAglycone:
COc1cc2c(c(O)c1-c1c(OC)cc(O)c3c1C(=O)c1cc(C)cc(O)c1C3=O)C(=O)c1c(O)cc(C)cc1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 15 | RingCount: | 7 |
HBD: | 7 | FractionCSP3: | 0.26 |
AlogP: | 1.83 | Num_rotatable_bonds: | 6 |
MolWt: | 728.66 | Num_heavy_atoms: | 53 |
TPSA: | 246.81 | NumAromaticRings: | 4 |
Unique Aglycone
AD61187
Formula: C32H22O10
Smiles:
COc1cc2c(c(O)c1-c1c(OC)cc(O)c3c1C(=O)c1cc(C)cc(O)c1C3=O)C(=O)c1c(O)cc(C)cc1C2=OHBA: | 10 | RingCount: | 6 |
HBD: | 4 | FractionCSP3: | 0.12 |
AlogP: | 4.36 | Num_rotatable_bonds: | 3 |
MolWt: | 566.52 | Num_heavy_atoms: | 42 |
TPSA: | 167.66 | NumAromaticRings: | 4 |