Glycoside
...
GD021994

Name:
None

Formula:
C32H43O9N6P

Smiles:
CC(C)Oc1nc(N)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(N[C@H](C)C(=O)OCC(C)(C)C)Oc2cccc3ccccc23)[C@H](O)[C@]1(C)O

Aglycone:
CC(C)Oc1nc(N)nc2c1N=C[N]2.COP(=O)(NC(C)C(=O)OCC(C)(C)C)Oc1cccc2ccccc12

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

Other Identifiers

Properties
HBA: 15 RingCount: 5
HBD: 5 FractionCSP3: 0.5
AlogP: 4.13 Num_rotatable_bonds: 12
MolWt: 686.7 Num_heavy_atoms: 48
TPSA: 202.4 NumAromaticRings: 4

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
AD14965
Formula: C8H10ON5

Smiles:
CC(C)Oc1nc(N)nc2c1N=C[N]2
HBA: 6 RingCount: 2
HBD: 2 FractionCSP3: 0.38
AlogP: 0.76 Num_rotatable_bonds: 2
MolWt: 192.2 Num_heavy_atoms: 14
TPSA: 87.49 NumAromaticRings: 1

Sugarmoiety
SD00027

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