Glycoside
...
GD150965

Name:
Maejaposide D

Formula:
C69H110O32

Smiles:
CC=C(C)C(=O)OC1C(OC(=O)C(C)CC)C23C(O)CC4(C)C5(C)CCC6C(C)(C)C(OC7OC(C(=O)O)C(O)C(OC8OC(CO)C(O)C(O)C8OC8OC(C)C(O)C(O)C8OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)CCC6(C)C5CCC4(OC2O)C3CC1(C)C

Aglycone:
CC=C(C)C(=O)OC1C(OC(=O)C(C)CC)C23C(O)CC4(C)C5(C)CCC6C(C)(C)C(O)CCC6(C)C5CCC4(OC2O)C3CC1(C)C

Sugarmoiety:
CC1OC(OC2C(OC3C(O)C(C(=O)O)OC(O)C3OC3OC(CO)C(O)C(O)C3O)OC(CO)C(O)C2O)C(OC2OCC(O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 32 RingCount: 11
HBD: 16 FractionCSP3: 0.93
AlogP: -2.39 Num_rotatable_bonds: 18
MolWt: 1451.61 Num_heavy_atoms: 101
TPSA: 494.88 NumAromaticRings: 0

Unique Aglycone
AD60255
Formula: C40H64O8

Smiles:
CC=C(C)C(=O)OC1C(OC(=O)C(C)CC)C23C(O)CC4(C)C5(C)CCC6C(C)(C)C(O)CCC6(C)C5CCC4(OC2O)C3CC1(C)C
HBA: 8 RingCount: 6
HBD: 3 FractionCSP3: 0.9
AlogP: 6.73 Num_rotatable_bonds: 5
MolWt: 672.94 Num_heavy_atoms: 48
TPSA: 122.52 NumAromaticRings: 0

Sugarmoiety
SD04946

CC1OC(OC2C(OC3C(O)C(C(=O)O)OC(O)C3OC3OC(CO)C(O)C(O)C3O)OC(CO)C(O)C2O)C(OC2OCC(O)C(O)C2O)C(O)C1O