Glycoside
...
GD093770

Name:
None

Formula:
C18H29O9N3S

Smiles:
CN1CCN(c2ccccc2C(=O)N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)CC1

Aglycone:
CN1CCN(c2ccccc2C(N)=O)CC1.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 7 FractionCSP3: 0.61
AlogP: -0.87 Num_rotatable_bonds: 6
MolWt: 463.51 Num_heavy_atoms: 31
TPSA: 175.42 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
AD33626
Formula: C12H17ON3

Smiles:
CN1CCN(c2ccccc2C(N)=O)CC1
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.42
AlogP: 0.54 Num_rotatable_bonds: 2
MolWt: 219.29 Num_heavy_atoms: 16
TPSA: 49.57 NumAromaticRings: 1

Sugarmoiety
SD00017

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