Glycoside
...
GD014353

Name:
None

Formula:
C65H122O21N4S

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]2OC(=O)CCC(=O)NCCOCCOCCOCCNC(=O)CCCCCCCCCCSC)[C@@](C)(O)C[C@H](C)C(NOCOCCOC)[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)C2OC(=O)CCC(=O)NCCOCCOCCOCCNC(=O)CCCCCCCCCCSC)C(C)(O)CC(C)C(NOCOCCOC)C(C)C(O)C1(C)O

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

Other Identifiers

Properties
HBA: 25 RingCount: 3
HBD: 7 FractionCSP3: 0.94
AlogP: 5.21 Num_rotatable_bonds: 41
MolWt: 1327.76 Num_heavy_atoms: 91
TPSA: 308.52 NumAromaticRings: 0

Unique Aglycone
AD10564
Formula: C57H108O18N4S

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2OC(=O)CCC(=O)NCCOCCOCCOCCNC(=O)CCCCCCCCCCSC)C(C)(O)CC(C)C(NOCOCCOC)C(C)C(O)C1(C)O
HBA: 22 RingCount: 2
HBD: 7 FractionCSP3: 0.93
AlogP: 4.29 Num_rotatable_bonds: 38
MolWt: 1169.57 Num_heavy_atoms: 80
TPSA: 280.83 NumAromaticRings: 0

Sugarmoiety
SD00005

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