Glycoside
...
GD079993

Name:
None

Formula:
C14H23O10N3S

Smiles:
CCOC(=O)Cc1ccc(N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)nn1

Aglycone:
CCOC(=O)Cc1ccc(N)nn1.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 7 FractionCSP3: 0.64
AlogP: -1.04 Num_rotatable_bonds: 8
MolWt: 425.42 Num_heavy_atoms: 28
TPSA: 203.95 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
AD27824
Formula: C8H11O2N3

Smiles:
CCOC(=O)Cc1ccc(N)nn1
HBA: 5 RingCount: 1
HBD: 2 FractionCSP3: 0.38
AlogP: 0.16 Num_rotatable_bonds: 3
MolWt: 181.19 Num_heavy_atoms: 13
TPSA: 78.1 NumAromaticRings: 1

Sugarmoiety
SD00017

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