Glycoside
...
GD006047

Name:
None

Formula:
C59H71O20NS2

Smiles:
CC(=O)O[C@@H]1C(=O)[C@]2(C)[C@H](O)C[C@@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](OC(=O)C(C)(C)CCSSC3OC(CO)C(O)C(O)C3O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C

Aglycone:
CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(OC(=O)C(C)(C)CCSS)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C

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

Other Identifiers

Properties
HBA: 21 RingCount: 8
HBD: 7 FractionCSP3: 0.54
AlogP: 3.88 Num_rotatable_bonds: 18
MolWt: 1178.34 Num_heavy_atoms: 82
TPSA: 317.51 NumAromaticRings: 3

Unique Aglycone
AD05041
Formula: C53H61O15NS2

Smiles:
CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(OC(=O)C(C)(C)CCSS)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C
HBA: 16 RingCount: 7
HBD: 3 FractionCSP3: 0.49
AlogP: 6.28 Num_rotatable_bonds: 15
MolWt: 1016.2 Num_heavy_atoms: 71
TPSA: 227.36 NumAromaticRings: 3

Sugarmoiety
SD00003

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