Glycoside
...
GD022777

Name:
None

Formula:
C42H76O13N2

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@](O)(C#CCOC)[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)[C@H](C)[C@H](O)[C@]1(C)O

Aglycone:
C#CCOC.CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O

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

Other Identifiers

Properties
HBA: 15 RingCount: 3
HBD: 5 FractionCSP3: 0.93
AlogP: 1.92 Num_rotatable_bonds: 8
MolWt: 817.07 Num_heavy_atoms: 57
TPSA: 189.31 NumAromaticRings: 0

Unique Aglycone
AD00728
Formula: C30H58O9N2

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O
HBA: 11 RingCount: 2
HBD: 5 FractionCSP3: 0.97
AlogP: 0.98 Num_rotatable_bonds: 4
MolWt: 590.8 Num_heavy_atoms: 41
TPSA: 152.39 NumAromaticRings: 0
AD07897
Formula: C4H6O

Smiles:
C#CCOC
HBA: 1 RingCount: 0
HBD: 0 FractionCSP3: 0.5
AlogP: 0.27 Num_rotatable_bonds: 1
MolWt: 70.09 Num_heavy_atoms: 5
TPSA: 9.23 NumAromaticRings: 0

Sugarmoiety
SD00237

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