Glycoside
...
GD126866

Name:
4,5-dihydroxy-2-[(2-hydroxyethyl)sulfanyl]-6-{2-methoxy-1-[(1-methylpyrrolidin-2-yl)formamido]propyl}oxan-3-yl 4-amino-2-hydroxybenzoate

Formula:
C24H37O9N3S

Smiles:
COC(C)C(N=C(O)C1CCCN1C)C1OC(SCCO)C(OC(=O)c2ccc(N)cc2O)C(O)C1O

Aglycone:
COC(C)CN=C(O)C1CCCN1C.Nc1ccc(C(=O)O)c(O)c1

Sugarmoiety:
OCCSC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 7 FractionCSP3: 0.67
AlogP: 0.13 Num_rotatable_bonds: 10
MolWt: 543.64 Num_heavy_atoms: 37
TPSA: 187.53 NumAromaticRings: 1

Unique Aglycone
AD20049
Formula: C7H7O3N

Smiles:
Nc1ccc(C(=O)O)c(O)c1
HBA: 4 RingCount: 1
HBD: 4 FractionCSP3: 0.0
AlogP: 0.67 Num_rotatable_bonds: 1
MolWt: 153.14 Num_heavy_atoms: 11
TPSA: 83.55 NumAromaticRings: 1
AD47172
Formula: C10H20O2N2

Smiles:
COC(C)CN=C(O)C1CCCN1C
HBA: 4 RingCount: 1
HBD: 1 FractionCSP3: 0.9
AlogP: 1.07 Num_rotatable_bonds: 4
MolWt: 200.28 Num_heavy_atoms: 14
TPSA: 45.06 NumAromaticRings: 0

Sugarmoiety
SD06695

OCCSC1OC(O)C(O)C(O)C1O