Glycoside
...
GD006546

Name:
None

Formula:
C42H79O13N3

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@](O)(CN3CCOCC3)[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[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)CNC(C)C(O)C1(C)O.CN1CCOCC1

Sugarmoiety:
COC1(C)CC(O)OC(C)C1(O)O

Other Identifiers

Properties
HBA: 16 RingCount: 4
HBD: 6 FractionCSP3: 0.98
AlogP: 1.26 Num_rotatable_bonds: 9
MolWt: 834.1 Num_heavy_atoms: 58
TPSA: 201.34 NumAromaticRings: 0

Unique Aglycone
AD00579
Formula: C29H56O9N2

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CNC(C)C(O)C1(C)O
HBA: 11 RingCount: 2
HBD: 6 FractionCSP3: 0.97
AlogP: 0.63 Num_rotatable_bonds: 4
MolWt: 576.77 Num_heavy_atoms: 40
TPSA: 161.18 NumAromaticRings: 0
AD05408
Formula: C5H11ON

Smiles:
CN1CCOCC1
HBA: 2 RingCount: 1
HBD: 0 FractionCSP3: 1.0
AlogP: -0.05 Num_rotatable_bonds: 0
MolWt: 101.15 Num_heavy_atoms: 7
TPSA: 12.47 NumAromaticRings: 0

Sugarmoiety
SD00237

COC1(C)CC(O)OC(C)C1(O)O