Glycoside
...
GD030882

Name:
None

Formula:
C49H46O16N4S

Smiles:
O=C([C@@H]1O[C@H](Oc2cc3oc(-c4ccc(OCc5ccccc5)cc4)cc(=O)c3c(O)c2OCc2ccccc2)[C@H](O)[C@H](O)[C@H]1O)N1CCN(CCOc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)CC1

Aglycone:
O=CN1CCN(CCOc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)CC1.O=c1cc(-c2ccc(OCc3ccccc3)cc2)oc2cc(O)c(OCc3ccccc3)c(O)c12

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

Other Identifiers

Properties
HBA: 20 RingCount: 9
HBD: 4 FractionCSP3: 0.27
AlogP: 3.19 Num_rotatable_bonds: 16
MolWt: 978.99 Num_heavy_atoms: 70
TPSA: 267.94 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
AD13800
Formula: C15H18O6N4S

Smiles:
O=CN1CCN(CCOc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)CC1
HBA: 10 RingCount: 3
HBD: 0 FractionCSP3: 0.4
AlogP: -0.71 Num_rotatable_bonds: 7
MolWt: 382.4 Num_heavy_atoms: 26
TPSA: 119.89 NumAromaticRings: 2

Sugarmoiety
SD00017

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