Glycoside
...
GD019861

Name:
None

Formula:
C37H38O16N4S

Smiles:
COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@H](C(=O)N5CCN(CCOc6no[n+]([O-])c6S(=O)(=O)c6ccccc6)CC5)[C@H](O)[C@H](O)[C@H]4O)cc3o2)cc1

Aglycone:
COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)cc1.O=CN1CCN(CCOc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)CC1

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

Other Identifiers

Properties
HBA: 20 RingCount: 7
HBD: 4 FractionCSP3: 0.35
AlogP: 0.05 Num_rotatable_bonds: 12
MolWt: 826.79 Num_heavy_atoms: 58
TPSA: 267.94 NumAromaticRings: 5

Unique Aglycone
AD00146
Formula: C17H14O6

Smiles:
COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)cc1
HBA: 6 RingCount: 3
HBD: 2 FractionCSP3: 0.12
AlogP: 2.89 Num_rotatable_bonds: 3
MolWt: 314.29 Num_heavy_atoms: 23
TPSA: 89.13 NumAromaticRings: 3
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