Glycoside
...
GD135416

Name:
Uch9

Formula:
C55H82O24

Smiles:
CCC(C)c1c(OC2CC(O)C(O)C(C)O2)cc2cc3c(c(O)c2c1O)C(=O)C(OC1CC(OC2CC(OC4CC(OC5CC(O)C(O)C(C)O5)C(OC)C(C)O4)C(O)C(C)O2)C(O)C(C)O1)C(C(OC)C(=O)C(O)C(C)O)C3

Aglycone:
CCC(C)c1c(O)cc2cc3c(c(O)c2c1O)C(=O)C(O)CC3

Sugarmoiety:
CC1OC(O)CC(O)C1O.COC(O)C(=O)C(O)C(C)O.COC1C(C)OC(OC2CC(OC3CC(O)OC(C)C3O)OC(C)C2O)CC1OC1CC(O)C(O)C(C)O1

Other Identifiers

Properties
HBA: 24 RingCount: 8
HBD: 10 FractionCSP3: 0.78
AlogP: 1.22 Num_rotatable_bonds: 18
MolWt: 1127.24 Num_heavy_atoms: 79
TPSA: 347.2 NumAromaticRings: 2

Unique Aglycone
AD07896
Formula: C18H20O5

Smiles:
CCC(C)c1c(O)cc2cc3c(c(O)c2c1O)C(=O)C(O)CC3
HBA: 5 RingCount: 3
HBD: 4 FractionCSP3: 0.39
AlogP: 2.96 Num_rotatable_bonds: 2
MolWt: 316.35 Num_heavy_atoms: 23
TPSA: 97.99 NumAromaticRings: 2

Sugarmoiety
SD07930

CC1OC(O)CC(O)C1O.COC(O)C(=O)C(O)C(C)O.COC1C(C)OC(OC2CC(OC3CC(O)OC(C)C3O)OC(C)C2O)CC1OC1CC(O)C(O)C(C)O1