Glycoside
...
GD028707

Name:
None

Formula:
C48H58O16

Smiles:
COc1c(C)c(OC(=O)c2c(C)c(C)c(OC[C@H](O)[C@H](O)COc3c(C)c(C)c(C(=O)Oc4c(C)c(C)c(C(=O)O)c(OC)c4C)c(OC)c3C)c(C)c2OC)c(C)c(C)c1C(=O)O

Aglycone:
COc1c(C)cc(C)c(C)c1C(=O)Oc1c(C)c(C)c(C(=O)O)c(OC)c1C.COc1c(C)cc(C)c(C)c1C(=O)Oc1c(C)c(C)c(C(=O)O)c(OC)c1C

Sugarmoiety:
OOCC(O)C(O)COO

Other Identifiers

Properties
HBA: 16 RingCount: 4
HBD: 4 FractionCSP3: 0.42
AlogP: 7.44 Num_rotatable_bonds: 17
MolWt: 890.98 Num_heavy_atoms: 64
TPSA: 223.04 NumAromaticRings: 4

Unique Aglycone
AD18726
Formula: C22H26O6

Smiles:
COc1c(C)cc(C)c(C)c1C(=O)Oc1c(C)c(C)c(C(=O)O)c(OC)c1C
HBA: 6 RingCount: 2
HBD: 1 FractionCSP3: 0.36
AlogP: 4.47 Num_rotatable_bonds: 5
MolWt: 386.44 Num_heavy_atoms: 28
TPSA: 82.06 NumAromaticRings: 2

Sugarmoiety
SD00115

OOCC(O)C(O)COO