Glycoside
...
GD135569

Name:
Nigrumnin Ii

Formula:
C55H88O27

Smiles:
CC1CCC2(OC1)OC1CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OCC(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CC(=O)C3(C)C1(O)C2C

Aglycone:
CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CC(=O)C3(C)C1(O)C2C

Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(OC3OC(CO)C(O)C(OC4OCC(O)C(O)C4O)C3OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 27 RingCount: 11
HBD: 14 FractionCSP3: 0.98
AlogP: -4.49 Num_rotatable_bonds: 12
MolWt: 1181.28 Num_heavy_atoms: 82
TPSA: 411.05 NumAromaticRings: 0

Unique Aglycone
AD54817
Formula: C27H42O5

Smiles:
CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CC(=O)C3(C)C1(O)C2C
HBA: 5 RingCount: 6
HBD: 2 FractionCSP3: 0.96
AlogP: 4.09 Num_rotatable_bonds: 0
MolWt: 446.63 Num_heavy_atoms: 32
TPSA: 75.99 NumAromaticRings: 0

Sugarmoiety
SD00773

CC1OC(OC2C(O)OC(CO)C(OC3OC(CO)C(O)C(OC4OCC(O)C(O)C4O)C3OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1O