Glycoside
...
GD016125

Name:
3-(acetyloxy)-2-[(2'-{[3,4-bis(acetyloxy)-5-hydroxy-6-methyloxan-2-yl]oxy}-4,4',5,5'-tetrahydroxy-7,7'-dimethyl-9H,9'H,10H,10'H-[9,9'-bianthracene]-10,10'-diyl)oxy]-5-hydroxy-6-methyloxan-4-yl acetate

Formula:
C50H50O20

Smiles:
CC(=O)O[C@H]1[C@@H](O)[C@@H](C)O[C@@H](Oc2cc(O)c3c(c2)[C@H]([C@@H]2c4cc(C)cc(O)c4C(=O)c4c(O)cc(O[C@@H]5O[C@H](C)[C@H](O)[C@@H](OC(C)=O)[C@@H]5OC(C)=O)cc42)c2cc(C)cc(O)c2C3=O)[C@@H]1OC(C)=O

Aglycone:
Cc1cc(O)c2c(c1)C(C1c3cc(C)cc(O)c3C(=O)c3c(O)cc(O)cc31)c1cc(O)cc(O)c1C2=O

Sugarmoiety:
CC(=O)OC1C(O)OC(C)C(O)C1OC(C)=O.CC(=O)OC1C(O)OC(C)C(O)C1OC(C)=O

Other Identifiers

Properties
HBA: 20 RingCount: 8
HBD: 6 FractionCSP3: 0.4
AlogP: 3.87 Num_rotatable_bonds: 9
MolWt: 970.93 Num_heavy_atoms: 70
TPSA: 297.64 NumAromaticRings: 4

Unique Aglycone
AD07941
Formula: C30H22O8

Smiles:
Cc1cc(O)c2c(c1)C(C1c3cc(C)cc(O)c3C(=O)c3c(O)cc(O)cc31)c1cc(O)cc(O)c1C2=O
HBA: 8 RingCount: 6
HBD: 6 FractionCSP3: 0.13
AlogP: 4.59 Num_rotatable_bonds: 1
MolWt: 510.5 Num_heavy_atoms: 38
TPSA: 155.52 NumAromaticRings: 4

Sugarmoiety
SD02048

CC(=O)OC1C(O)OC(C)C(O)C1OC(C)=O.CC(=O)OC1C(O)OC(C)C(O)C1OC(C)=O