Glycoside
...
GD020285

Name:
None

Formula:
C27H30O19N2S4

Smiles:
O=C(NC1CCCCC1)C(c1ccccc1)N(Cc1ccccc1)C(=O)C1OC(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C1OS(=O)(=O)[O-]

Aglycone:
O=CN(Cc1ccccc1)C(C(=O)NC1CCCCC1)c1ccccc1.O=S(=O)([O-])O.O=S(=O)([O-])O.O=S(=O)([O-])O.O=S(=O)([O-])O

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 4
HBD: 1 FractionCSP3: 0.48
AlogP: -1.06 Num_rotatable_bonds: 15
MolWt: 814.8 Num_heavy_atoms: 52
TPSA: 324.36 NumAromaticRings: 2

Unique Aglycone
AD00426
Formula: HO4S

Smiles:
O=S(=O)([O-])O
HBA: 4 RingCount: 0
HBD: 1 FractionCSP3: 0.0
AlogP: -1.0 Num_rotatable_bonds: 0
MolWt: 97.07 Num_heavy_atoms: 5
TPSA: 77.43 NumAromaticRings: 0
AD05964
Formula: C22H26O2N2

Smiles:
O=CN(Cc1ccccc1)C(C(=O)NC1CCCCC1)c1ccccc1
HBA: 4 RingCount: 3
HBD: 1 FractionCSP3: 0.36
AlogP: 3.84 Num_rotatable_bonds: 7
MolWt: 350.46 Num_heavy_atoms: 26
TPSA: 49.41 NumAromaticRings: 2

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O