Glycoside
...
GD017946

Name:
None

Formula:
C42H76O12N4

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@](O)(c3nccn3C)[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:
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.Cn1ccnc1

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

Other Identifiers

Properties
HBA: 16 RingCount: 4
HBD: 5 FractionCSP3: 0.9
AlogP: 2.16 Num_rotatable_bonds: 8
MolWt: 829.09 Num_heavy_atoms: 58
TPSA: 197.9 NumAromaticRings: 1

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
AD03652
Formula: C4H6N2

Smiles:
Cn1ccnc1
HBA: 2 RingCount: 1
HBD: 0 FractionCSP3: 0.25
AlogP: 0.42 Num_rotatable_bonds: 0
MolWt: 82.11 Num_heavy_atoms: 6
TPSA: 17.82 NumAromaticRings: 1

Sugarmoiety
SD00237

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