Glycoside
...
GD005411

Name:
None

Formula:
C53H92O15N4

Smiles:
CCCCCNC(=O)O[C@@H]1[C@H](C)N(C)C[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](OC(=O)NCc3ccc(OC)cc3)[C@H](C)O2)[C@H](C)C(=O)O[C@H](CC)[C@]1(C)O

Aglycone:
CCCCCNC(=O)OC1C(C)N(C)CC(C)CC(C)(O)C(OC2OC(C)CC(N(C)C)C2O)C(C)C(O)C(C)C(=O)OC(CC)C1(C)O.COc1ccc(CNC(=O)O)cc1

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

Other Identifiers

Properties
HBA: 19 RingCount: 4
HBD: 5 FractionCSP3: 0.83
AlogP: 5.77 Num_rotatable_bonds: 16
MolWt: 1025.33 Num_heavy_atoms: 72
TPSA: 225.51 NumAromaticRings: 1

Unique Aglycone
AD04601
Formula: C36H69O10N3

Smiles:
CCCCCNC(=O)OC1C(C)N(C)CC(C)CC(C)(O)C(OC2OC(C)CC(N(C)C)C2O)C(C)C(O)C(C)C(=O)OC(CC)C1(C)O
HBA: 13 RingCount: 2
HBD: 5 FractionCSP3: 0.94
AlogP: 2.9 Num_rotatable_bonds: 9
MolWt: 703.96 Num_heavy_atoms: 49
TPSA: 170.49 NumAromaticRings: 0
AD04602
Formula: C9H11O3N

Smiles:
COc1ccc(CNC(=O)O)cc1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.22
AlogP: 1.46 Num_rotatable_bonds: 3
MolWt: 181.19 Num_heavy_atoms: 13
TPSA: 58.56 NumAromaticRings: 1

Sugarmoiety
SD00005

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