Glycoside
...
GD039263

Name:
5,10-dimethylene tetrahydromethanopterin

Formula:
C31H45O16N6P

Smiles:
C[C@H]1Nc2nc(N)[nH]c(=O)c2N2CN(c3ccc(C[C@@H](O)[C@@H](O)C(O)CO[C@H]4O[C@H](COP(=O)(O)OC(CCC(=O)O)C(=O)O)[C@H](O)[C@@H]4O)cc3)[C@H](C)[C@@H]12

Aglycone:
COP(=O)(O)OC(CCC(=O)O)C(=O)O.Cc1ccc(N2CN3c4c(nc(N)[nH]c4=O)NC(C)C3C2C)cc1

Sugarmoiety:
OC(O)C(O)C(O)COC1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 5
HBD: 12 FractionCSP3: 0.61
AlogP: -2.25 Num_rotatable_bonds: 17
MolWt: 788.7 Num_heavy_atoms: 54
TPSA: 340.25 NumAromaticRings: 2

Unique Aglycone
AD24184
Formula: C6H11O8P

Smiles:
COP(=O)(O)OC(CCC(=O)O)C(=O)O
HBA: 8 RingCount: 0
HBD: 3 FractionCSP3: 0.67
AlogP: 0.07 Num_rotatable_bonds: 7
MolWt: 242.12 Num_heavy_atoms: 15
TPSA: 130.36 NumAromaticRings: 0
AD24323
Formula: C17H22ON6

Smiles:
Cc1ccc(N2CN3c4c(nc(N)[nH]c4=O)NC(C)C3C2C)cc1
HBA: 7 RingCount: 4
HBD: 4 FractionCSP3: 0.41
AlogP: 1.52 Num_rotatable_bonds: 1
MolWt: 326.4 Num_heavy_atoms: 24
TPSA: 90.28 NumAromaticRings: 2

Sugarmoiety
SD03436

OC(O)C(O)C(O)COC1OC(O)C(O)C1O