Glycoside
...
GD027414

Name:
None

Formula:
C48H75O12N3

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]3[C@H]2OC(=Nc2cccc4ccccc24)N3C)[C@@](C)(O)C[C@H](C)CN(C)[C@H](C)[C@H](O)[C@]1(C)O

Aglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC3C2OC(=Nc2cccc4ccccc24)N3C)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O

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

Other Identifiers

Properties
HBA: 15 RingCount: 6
HBD: 4 FractionCSP3: 0.75
AlogP: 5.15 Num_rotatable_bonds: 7
MolWt: 886.14 Num_heavy_atoms: 63
TPSA: 181.44 NumAromaticRings: 2

Unique Aglycone
AD18019
Formula: C40H61O9N3

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC3C2OC(=Nc2cccc4ccccc24)N3C)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O
HBA: 12 RingCount: 5
HBD: 4 FractionCSP3: 0.7
AlogP: 4.22 Num_rotatable_bonds: 4
MolWt: 727.94 Num_heavy_atoms: 52
TPSA: 153.75 NumAromaticRings: 2

Sugarmoiety
SD00005

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