Glycoside
...
GD024886

Name:
None

Formula:
C42H81O14N3

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@](O)(CN(CCO)CCO)[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.CN(CCO)CCO

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

Other Identifiers

Properties
HBA: 17 RingCount: 3
HBD: 8 FractionCSP3: 0.98
AlogP: 0.22 Num_rotatable_bonds: 13
MolWt: 852.12 Num_heavy_atoms: 59
TPSA: 232.57 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
AD16566
Formula: C5H13O2N

Smiles:
CN(CCO)CCO
HBA: 3 RingCount: 0
HBD: 2 FractionCSP3: 1.0
AlogP: -1.1 Num_rotatable_bonds: 4
MolWt: 119.16 Num_heavy_atoms: 8
TPSA: 43.7 NumAromaticRings: 0

Sugarmoiety
SD00237

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