Glycoside
...
GD009188

Name:
None

Formula:
C46H82O12N4

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](O)[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(CCCNCc2cccnc2)[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(CCCNCc2cccnc2)C(C)C(O)C1(C)O

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

Other Identifiers

Properties
HBA: 16 RingCount: 4
HBD: 6 FractionCSP3: 0.87
AlogP: 2.85 Num_rotatable_bonds: 13
MolWt: 883.18 Num_heavy_atoms: 62
TPSA: 205.0 NumAromaticRings: 1

Unique Aglycone
AD07227
Formula: C38H68O9N4

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCCNCc2cccnc2)C(C)C(O)C1(C)O
HBA: 13 RingCount: 3
HBD: 6 FractionCSP3: 0.84
AlogP: 1.92 Num_rotatable_bonds: 10
MolWt: 724.98 Num_heavy_atoms: 51
TPSA: 177.31 NumAromaticRings: 1

Sugarmoiety
SD00005

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