Glycoside
...
GD008193

Name:
None

Formula:
C53H86O12N6S

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)Nc2ccc(N=Nc3ccccc3)cc2)[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)Nc2ccc(N=Nc3ccccc3)cc2)C(C)C(O)C1(C)O

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

Other Identifiers

Properties
HBA: 18 RingCount: 5
HBD: 7 FractionCSP3: 0.74
AlogP: 6.06 Num_rotatable_bonds: 14
MolWt: 1031.37 Num_heavy_atoms: 72
TPSA: 228.86 NumAromaticRings: 2

Unique Aglycone
AD06574
Formula: C45H72O9N6S

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)Nc2ccc(N=Nc3ccccc3)cc2)C(C)C(O)C1(C)O
HBA: 15 RingCount: 4
HBD: 7 FractionCSP3: 0.69
AlogP: 5.14 Num_rotatable_bonds: 11
MolWt: 873.17 Num_heavy_atoms: 61
TPSA: 201.17 NumAromaticRings: 2

Sugarmoiety
SD00005

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