Glycoside
...
GD096660

Name:
None

Formula:
C18H28O10N2S

Smiles:
COC(=O)C[C@H](c1ccnc(N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)c1)C1CC1

Aglycone:
COC(=O)CC(c1ccnc(N)c1)C1CC1.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 7 FractionCSP3: 0.67
AlogP: 0.51 Num_rotatable_bonds: 9
MolWt: 464.49 Num_heavy_atoms: 31
TPSA: 191.06 NumAromaticRings: 1

Unique Aglycone
AD12993
Formula: CH6O4S

Smiles:
COS(O)(O)O
HBA: 4 RingCount: 0
HBD: 3 FractionCSP3: 1.0
AlogP: 0.77 Num_rotatable_bonds: 1
MolWt: 114.12 Num_heavy_atoms: 6
TPSA: 69.92 NumAromaticRings: 0
AD41101
Formula: C12H16O2N2

Smiles:
COC(=O)CC(c1ccnc(N)c1)C1CC1
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.5
AlogP: 1.72 Num_rotatable_bonds: 4
MolWt: 220.27 Num_heavy_atoms: 16
TPSA: 65.21 NumAromaticRings: 1

Sugarmoiety
SD00017

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