Glycoside
...
GD022725

Name:
None

Formula:
C27H34O9N7P

Smiles:
CC(C)O[C@@H]1[C@@H](n2cnc3c(=O)[nH]c(N)nc32)O[C@@H](COP(=O)([O-])NC(Cc2c[nH]c3ccccc23)C(=O)[O-])[C@H]1OC(C)C

Aglycone:
COP(=O)([O-])NC(Cc1c[nH]c2ccccc12)C(=O)[O-].Nc1nc2c(c(=O)[nH]1)N=C[N]2

Sugarmoiety:
CC(C)OC1C(O)OC(O)C1OC(C)C

Other Identifiers

Properties
HBA: 16 RingCount: 5
HBD: 5 FractionCSP3: 0.48
AlogP: 0.1 Num_rotatable_bonds: 13
MolWt: 631.58 Num_heavy_atoms: 44
TPSA: 234.59 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
AD15372
Formula: C12H13O5N2P

Smiles:
COP(=O)([O-])NC(Cc1c[nH]c2ccccc12)C(=O)[O-]
HBA: 7 RingCount: 2
HBD: 2 FractionCSP3: 0.25
AlogP: -0.47 Num_rotatable_bonds: 6
MolWt: 296.22 Num_heavy_atoms: 20
TPSA: 117.31 NumAromaticRings: 2

Sugarmoiety
SD00754

CC(C)OC1C(O)OC(O)C1OC(C)C