Glycoside
...
GD109734

Name:
None

Formula:
C32H45O10N2

Smiles:
COc1ccc(CC[N@H+](CCC[C@](C#N)(c2ccc(OC)c(OC)c2)C(C)C)[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc1OC

Aglycone:
COc1ccc(CC[NH2+]CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC

Sugarmoiety:
O=C(O)C1OC([OH+])C(O)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 5 FractionCSP3: 0.56
AlogP: 0.94 Num_rotatable_bonds: 15
MolWt: 617.72 Num_heavy_atoms: 44
TPSA: 172.37 NumAromaticRings: 2

Unique Aglycone
AD44575
Formula: C26H37O4N2

Smiles:
COc1ccc(CC[NH2+]CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC
HBA: 6 RingCount: 2
HBD: 2 FractionCSP3: 0.5
AlogP: 3.72 Num_rotatable_bonds: 13
MolWt: 441.59 Num_heavy_atoms: 32
TPSA: 77.32 NumAromaticRings: 2

Sugarmoiety
SD04235

O=C(O)C1OC([OH+])C(O)C(O)C1O