Glycoside
...
GD123297

Name:
machiluside a

Formula:
C42H62O17

Smiles:
CC1(C)C(=O)C(OC2OC(CO)C(O)C(O)C2O)=CC2C1=CCC1C2(C)C(=O)CC2(C)C(C(C)(O)C34OCC5(O)C(C(O)C(O)CO)OC(C53)C(C)(C)O4)C(O)CC12C

Aglycone:
CC1(C)C(=O)C(O)=CC2C1=CCC1C2(C)C(=O)CC2(C)C(C(C)(O)C34OCC5(O)C(C(O)C(O)CO)OC(C53)C(C)(C)O4)C(O)CC12C

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

Other Identifiers

Properties
HBA: 17 RingCount: 8
HBD: 10 FractionCSP3: 0.86
AlogP: -1.65 Num_rotatable_bonds: 8
MolWt: 838.94 Num_heavy_atoms: 59
TPSA: 282.59 NumAromaticRings: 0

Unique Aglycone
AD49742
Formula: C36H52O12

Smiles:
CC1(C)C(=O)C(O)=CC2C1=CCC1C2(C)C(=O)CC2(C)C(C(C)(O)C34OCC5(O)C(C(O)C(O)CO)OC(C53)C(C)(C)O4)C(O)CC12C
HBA: 12 RingCount: 7
HBD: 7 FractionCSP3: 0.83
AlogP: 1.09 Num_rotatable_bonds: 5
MolWt: 676.8 Num_heavy_atoms: 48
TPSA: 203.44 NumAromaticRings: 0

Sugarmoiety
SD00003

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