Glycoside
...
GD111567

Name:
None

Formula:
C36H57O8N2

Smiles:
C[C@H]1O[C@@H](O[C@@H]2CC[C@]3(/C=N/CC[NH+]4CCCCC4)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@@]5(O)[C@@H]4CC[C@]3(O)C2)C[C@@H](O)[C@@H]1O

Aglycone:
CC12CCC3C(CCC4(O)CC(O)CCC34C=NCC[NH+]3CCCCC3)C1(O)CCC2C1=CC(=O)OC1

Sugarmoiety:
CC1OC(O)CC(O)C1O

Other Identifiers

Properties
HBA: 10 RingCount: 7
HBD: 5 FractionCSP3: 0.89
AlogP: 1.72 Num_rotatable_bonds: 7
MolWt: 645.86 Num_heavy_atoms: 46
TPSA: 142.48 NumAromaticRings: 0

Unique Aglycone
AD44716
Formula: C30H47O5N2

Smiles:
CC12CCC3C(CCC4(O)CC(O)CCC34C=NCC[NH+]3CCCCC3)C1(O)CCC2C1=CC(=O)OC1
HBA: 7 RingCount: 6
HBD: 4 FractionCSP3: 0.87
AlogP: 1.84 Num_rotatable_bonds: 5
MolWt: 515.72 Num_heavy_atoms: 37
TPSA: 103.79 NumAromaticRings: 0

Sugarmoiety
SD00010

CC1OC(O)CC(O)C1O