Glycoside
...
GD005871

Name:
None

Formula:
C36H44O8N7P

Smiles:
C[C@H](NP(=O)(OC[C@@H]1O[C@H](n2cnc3c(NCc4ccccc4)nc(N)nc32)[C@@](C)(O)[C@H]1O)Oc1cccc2ccccc12)C(=O)OCC(C)(C)C

Aglycone:
COP(=O)(NC(C)C(=O)OCC(C)(C)C)Oc1cccc2ccccc12.Nc1nc2c(c(NCc3ccccc3)n1)N=C[N]2

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

Other Identifiers

Properties
HBA: 15 RingCount: 6
HBD: 6 FractionCSP3: 0.39
AlogP: 4.95 Num_rotatable_bonds: 13
MolWt: 733.76 Num_heavy_atoms: 52
TPSA: 205.2 NumAromaticRings: 5

Unique Aglycone
AD03412
Formula: C19H26O5NP

Smiles:
COP(=O)(NC(C)C(=O)OCC(C)(C)C)Oc1cccc2ccccc12
HBA: 6 RingCount: 2
HBD: 1 FractionCSP3: 0.42
AlogP: 4.54 Num_rotatable_bonds: 7
MolWt: 379.39 Num_heavy_atoms: 26
TPSA: 73.86 NumAromaticRings: 2
AD04920
Formula: C12H11N6

Smiles:
Nc1nc2c(c(NCc3ccccc3)n1)N=C[N]2
HBA: 6 RingCount: 3
HBD: 3 FractionCSP3: 0.08
AlogP: 1.58 Num_rotatable_bonds: 3
MolWt: 239.26 Num_heavy_atoms: 18
TPSA: 90.29 NumAromaticRings: 2

Sugarmoiety
SD00027

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