Glycoside
...
GD009863

Name:
None

Formula:
C45H39O16N3S

Smiles:
O=C(NCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1)[C@@H]1O[C@H](Oc2cc3oc(-c4ccc(OCc5ccccc5)cc4)cc(=O)c3c(O)c2OCc2ccccc2)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
O=CNCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1.O=c1cc(-c2ccc(OCc3ccccc3)cc2)oc2cc(O)c(OCc3ccccc3)c(O)c12

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

Other Identifiers

Properties
HBA: 19 RingCount: 8
HBD: 5 FractionCSP3: 0.2
AlogP: 3.16 Num_rotatable_bonds: 16
MolWt: 909.88 Num_heavy_atoms: 65
TPSA: 273.49 NumAromaticRings: 7

Unique Aglycone
AD04640
Formula: C29H22O6

Smiles:
O=c1cc(-c2ccc(OCc3ccccc3)cc2)oc2cc(O)c(OCc3ccccc3)c(O)c12
HBA: 6 RingCount: 5
HBD: 2 FractionCSP3: 0.07
AlogP: 6.03 Num_rotatable_bonds: 7
MolWt: 466.49 Num_heavy_atoms: 35
TPSA: 89.13 NumAromaticRings: 5
AD04701
Formula: C11H11O6N3S

Smiles:
O=CNCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1
HBA: 9 RingCount: 2
HBD: 1 FractionCSP3: 0.18
AlogP: -0.73 Num_rotatable_bonds: 7
MolWt: 313.29 Num_heavy_atoms: 21
TPSA: 125.44 NumAromaticRings: 2

Sugarmoiety
SD00017

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