Glycoside
...
GD028813

Name:
None

Formula:
C27H31O8N4PS

Smiles:
CCOC(=O)[C@H](C)NP(=O)(OC[C@@]1(C)O[C@H](n2ccc3c(-c4cccs4)ncnc32)[C@H](O)[C@H]1O)Oc1ccccc1

Aglycone:
C1=Cc2c(ncnc2-c2cccs2)[N]1.CCOC(=O)C(C)NP(=O)(OC)Oc1ccccc1

Sugarmoiety:
CC1(O)OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 5
HBD: 3 FractionCSP3: 0.37
AlogP: 3.91 Num_rotatable_bonds: 11
MolWt: 602.61 Num_heavy_atoms: 41
TPSA: 154.26 NumAromaticRings: 4

Unique Aglycone
AD00513
Formula: C10H6N3S

Smiles:
C1=Cc2c(ncnc2-c2cccs2)[N]1
HBA: 3 RingCount: 3
HBD: 0 FractionCSP3: 0.0
AlogP: 2.43 Num_rotatable_bonds: 1
MolWt: 200.25 Num_heavy_atoms: 14
TPSA: 39.88 NumAromaticRings: 2
AD00514
Formula: C12H18O5NP

Smiles:
CCOC(=O)C(C)NP(=O)(OC)Oc1ccccc1
HBA: 6 RingCount: 1
HBD: 1 FractionCSP3: 0.42
AlogP: 2.36 Num_rotatable_bonds: 7
MolWt: 287.25 Num_heavy_atoms: 19
TPSA: 73.86 NumAromaticRings: 1

Sugarmoiety
SD01628

CC1(O)OC(O)C(O)C1O