Glycoside
...
GD014863

Name:
None

Formula:
C27H31O15N9P2

Smiles:
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)COP(=O)([O-])OP(=O)([O-])OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)c2cc1C

Aglycone:
COP(=O)([O-])O[PH](=O)[O-].Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C)c2cc1C.Nc1ncnc2c1N=C[N]2

Sugarmoiety:
OC(O)C(O)C(O)O.OOCC1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 24 RingCount: 6
HBD: 8 FractionCSP3: 0.44
AlogP: -3.69 Num_rotatable_bonds: 13
MolWt: 783.54 Num_heavy_atoms: 53
TPSA: 368.59 NumAromaticRings: 3

Unique Aglycone
AD00058
Formula: C5H4N5

Smiles:
Nc1ncnc2c1N=C[N]2
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: -0.03 Num_rotatable_bonds: 0
MolWt: 134.12 Num_heavy_atoms: 10
TPSA: 78.26 NumAromaticRings: 1
AD07263
Formula: C13H12O2N4

Smiles:
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C)c2cc1C
HBA: 6 RingCount: 3
HBD: 1 FractionCSP3: 0.23
AlogP: 0.74 Num_rotatable_bonds: 0
MolWt: 256.26 Num_heavy_atoms: 19
TPSA: 80.64 NumAromaticRings: 1
AD10890
Formula: CH4O6P2

Smiles:
COP(=O)([O-])O[PH](=O)[O-]
HBA: 6 RingCount: 0
HBD: 0 FractionCSP3: 1.0
AlogP: -1.13 Num_rotatable_bonds: 3
MolWt: 173.98 Num_heavy_atoms: 9
TPSA: 98.72 NumAromaticRings: 0

Sugarmoiety
SD01480

OC(O)C(O)C(O)O.OOCC1OC(O)C(O)C1O