Glycoside
...
GD024297

Name:
None

Formula:
C30H39O9N6PS

Smiles:
CSCCC[C@H](NP(=O)(OC[C@@H]1O[C@H](n2cnc3c(=O)[nH]c(N)nc32)[C@@](C)(O)[C@H]1O)Oc1cccc2ccccc12)C(=O)OC(C)C

Aglycone:
COP(=O)(NC(CCCSC)C(=O)OC(C)C)Oc1cccc2ccccc12.Nc1nc2c(c(=O)[nH]1)N=C[N]2

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

Other Identifiers

Properties
HBA: 15 RingCount: 5
HBD: 6 FractionCSP3: 0.47
AlogP: 3.12 Num_rotatable_bonds: 14
MolWt: 690.72 Num_heavy_atoms: 47
TPSA: 213.14 NumAromaticRings: 4

Unique Aglycone
AD00207
Formula: C5H4ON5

Smiles:
Nc1nc2c(c(=O)[nH]1)N=C[N]2
HBA: 6 RingCount: 2
HBD: 3 FractionCSP3: 0.0
AlogP: -0.74 Num_rotatable_bonds: 0
MolWt: 150.12 Num_heavy_atoms: 11
TPSA: 98.23 NumAromaticRings: 1
AD16230
Formula: C20H28O5NPS

Smiles:
COP(=O)(NC(CCCSC)C(=O)OC(C)C)Oc1cccc2ccccc12
HBA: 6 RingCount: 2
HBD: 1 FractionCSP3: 0.45
AlogP: 5.03 Num_rotatable_bonds: 11
MolWt: 425.49 Num_heavy_atoms: 28
TPSA: 73.86 NumAromaticRings: 2

Sugarmoiety
SD00027

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