Glycoside
...
GD020730

Name:
None

Formula:
C48H76O13N4S

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)(OC)C[C@H](C)C(=O)[C@H](C)[C@@H]2[C@H](SCCn3cnc4cccnc43)C(=O)O[C@]12C

Aglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(=O)C(C)C2C(SCCn3cnc4cccnc43)C(=O)OC12C

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

Other Identifiers

Properties
HBA: 17 RingCount: 6
HBD: 2 FractionCSP3: 0.81
AlogP: 4.81 Num_rotatable_bonds: 12
MolWt: 949.22 Num_heavy_atoms: 66
TPSA: 199.46 NumAromaticRings: 2

Unique Aglycone
AD14266
Formula: C40H62O10N4S

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(=O)C(C)C2C(SCCn3cnc4cccnc43)C(=O)OC12C
HBA: 14 RingCount: 5
HBD: 2 FractionCSP3: 0.78
AlogP: 3.88 Num_rotatable_bonds: 9
MolWt: 791.02 Num_heavy_atoms: 55
TPSA: 171.77 NumAromaticRings: 2

Sugarmoiety
SD00005

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