Glycoside
...
GD013145

Name:
None

Formula:
C54H94O13N4S

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(O)C[C@H](C)CN(CCCNC(=S)N[C@@H]2CCCC[C@H]2OCc2ccccc2)[C@H](C)[C@H](O)[C@]1(C)O

Aglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCCNC(=S)NC2CCCCC2OCc2ccccc2)C(C)C(O)C1(C)O

Sugarmoiety:
COC1(C)CC(O)OC(C)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 5
HBD: 7 FractionCSP3: 0.85
AlogP: 4.65 Num_rotatable_bonds: 15
MolWt: 1039.43 Num_heavy_atoms: 72
TPSA: 213.37 NumAromaticRings: 1

Unique Aglycone
AD09846
Formula: C46H80O10N4S

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCCNC(=S)NC2CCCCC2OCc2ccccc2)C(C)C(O)C1(C)O
HBA: 14 RingCount: 4
HBD: 7 FractionCSP3: 0.83
AlogP: 3.73 Num_rotatable_bonds: 12
MolWt: 881.23 Num_heavy_atoms: 61
TPSA: 185.68 NumAromaticRings: 1

Sugarmoiety
SD00005

COC1(C)CC(O)OC(C)C1O