Glycoside
...
GD033029

Name:
None

Formula:
C30H52O21N9P3S

Smiles:
CO[C@@H]1O[C@H](CNC(=O)CSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2OP(=O)(O)O)[C@H](O)[C@H](O)[C@H]1N

Aglycone:
CNC(=O)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC.Nc1ncnc2c1N=C[N]2.O=P(O)(O)O

Sugarmoiety:
COC1OC(O)C(O)C(O)C1N.OC1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 30 RingCount: 4
HBD: 15 FractionCSP3: 0.73
AlogP: -4.33 Num_rotatable_bonds: 24
MolWt: 999.78 Num_heavy_atoms: 64
TPSA: 460.6 NumAromaticRings: 2

Unique Aglycone
AD00019
Formula: H3O4P

Smiles:
O=P(O)(O)O
HBA: 4 RingCount: 0
HBD: 3 FractionCSP3: 0.0
AlogP: -0.93 Num_rotatable_bonds: 0
MolWt: 97.99 Num_heavy_atoms: 5
TPSA: 77.76 NumAromaticRings: 0
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
AD11324
Formula: C15H31O11N3P2S

Smiles:
CNC(=O)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC
HBA: 14 RingCount: 0
HBD: 6 FractionCSP3: 0.8
AlogP: -0.64 Num_rotatable_bonds: 16
MolWt: 523.44 Num_heavy_atoms: 32
TPSA: 209.82 NumAromaticRings: 0

Sugarmoiety
SD03089

COC1OC(O)C(O)C(O)C1N.OC1OC(O)C(O)C1O