Glycoside
...
GD116810

Name:
Hemsleyanoside D

Formula:
C48H42O14

Smiles:
OCC1OC(c2c(O)cc3c(c2O)C(c2ccc(O)cc2)C2c4cc(O)cc5c4C(c4cc(O)cc(O)c4C(c4ccc(O)cc4)C32)C(c2ccc(O)cc2)O5)C(O)C(O)C1O

Aglycone:
Oc1ccc(C2Oc3cc(O)cc4c3C2c2cc(O)cc(O)c2C(c2ccc(O)cc2)C2c3cc(O)cc(O)c3C(c3ccc(O)cc3)C42)cc1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 10
HBD: 12 FractionCSP3: 0.25
AlogP: 5.27 Num_rotatable_bonds: 5
MolWt: 842.85 Num_heavy_atoms: 62
TPSA: 261.22 NumAromaticRings: 6

Unique Aglycone
AD46460
Formula: C42H32O9

Smiles:
Oc1ccc(C2Oc3cc(O)cc4c3C2c2cc(O)cc(O)c2C(c2ccc(O)cc2)C2c3cc(O)cc(O)c3C(c3ccc(O)cc3)C42)cc1
HBA: 9 RingCount: 9
HBD: 8 FractionCSP3: 0.14
AlogP: 7.76 Num_rotatable_bonds: 3
MolWt: 680.71 Num_heavy_atoms: 51
TPSA: 171.07 NumAromaticRings: 6

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O