Glycoside
...
GD108568

Name:
None

Formula:
C31H39O10N2

Smiles:
O=c1c(-c2ccc(O[C@@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc2)coc2c(CN3CCCC3)c(O)c(C[NH+]3CCCC3)c(O)c12

Aglycone:
O=c1c(-c2ccc(O)cc2)coc2c(CN3CCCC3)c(O)c(C[NH+]3CCCC3)c(O)c12

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 6
HBD: 7 FractionCSP3: 0.52
AlogP: -0.18 Num_rotatable_bonds: 8
MolWt: 599.66 Num_heavy_atoms: 43
TPSA: 177.73 NumAromaticRings: 3

Unique Aglycone
AD44448
Formula: C25H29O5N2

Smiles:
O=c1c(-c2ccc(O)cc2)coc2c(CN3CCCC3)c(O)c(C[NH+]3CCCC3)c(O)c12
HBA: 7 RingCount: 5
HBD: 4 FractionCSP3: 0.4
AlogP: 2.35 Num_rotatable_bonds: 5
MolWt: 437.52 Num_heavy_atoms: 32
TPSA: 98.58 NumAromaticRings: 3

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O