Glycoside
...
GD150733

Name:
Rhusemialin B

Formula:
C38H46O16

Smiles:
COc1cc(C=CC(=O)OCC2OC(Oc3c(OC)cc4c(c3OC)C(c3cc(OC)c(O)c(OC)c3)C(CO)C(CO)C4)C(O)C(O)C2O)ccc1O

Aglycone:
COC(=O)C=Cc1ccc(O)c(OC)c1.COc1cc(C2c3c(cc(OC)c(O)c3OC)CC(CO)C2CO)cc(OC)c1O

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 5
HBD: 7 FractionCSP3: 0.45
AlogP: 1.49 Num_rotatable_bonds: 14
MolWt: 758.77 Num_heavy_atoms: 54
TPSA: 232.52 NumAromaticRings: 3

Unique Aglycone
AD00132
Formula: C11H12O4

Smiles:
COC(=O)C=Cc1ccc(O)c(OC)c1
HBA: 4 RingCount: 1
HBD: 1 FractionCSP3: 0.18
AlogP: 1.59 Num_rotatable_bonds: 3
MolWt: 208.21 Num_heavy_atoms: 15
TPSA: 55.76 NumAromaticRings: 1
AD01165
Formula: C22H28O8

Smiles:
COc1cc(C2c3c(cc(OC)c(O)c3OC)CC(CO)C2CO)cc(OC)c1O
HBA: 8 RingCount: 3
HBD: 4 FractionCSP3: 0.45
AlogP: 2.04 Num_rotatable_bonds: 7
MolWt: 420.46 Num_heavy_atoms: 30
TPSA: 117.84 NumAromaticRings: 2

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O