Glycoside
...
GD130312

Name:
Sch 20562

Formula:
C63H96O21N12

Smiles:
CC=C1N=C(O)C(Cc2ccc(O)cc2)N=C(O)C(C(C)O)N=C(O)C(N=C(O)C(=CC)N=C(O)CC(O)CCCCCCCCCCC)C(C)OC(=O)C(Cc2cnc[nH]2)N=C(O)C(C(C)OC2OC(CO)C(O)C(O)C2O)N(C)C(=O)CN=C(O)C(CCC(=N)O)N=C1O

Aglycone:
CC=C1N=C(O)C(Cc2ccc(O)cc2)N=C(O)C(C(C)O)N=C(O)C(N=C(O)C(=CC)N=C(O)CC(O)CCCCCCCCCCC)C(C)OC(=O)C(Cc2cnc[nH]2)N=C(O)C(C(C)O)N(C)C(=O)CN=C(O)C(CCC(=N)O)N=C1O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 33 RingCount: 4
HBD: 18 FractionCSP3: 0.62
AlogP: 4.55 Num_rotatable_bonds: 27
MolWt: 1357.52 Num_heavy_atoms: 96
TPSA: 540.16 NumAromaticRings: 2

Unique Aglycone
AD52807
Formula: C57H86O16N12

Smiles:
CC=C1N=C(O)C(Cc2ccc(O)cc2)N=C(O)C(C(C)O)N=C(O)C(N=C(O)C(=CC)N=C(O)CC(O)CCCCCCCCCCC)C(C)OC(=O)C(Cc2cnc[nH]2)N=C(O)C(C(C)O)N(C)C(=O)CN=C(O)C(CCC(=N)O)N=C1O
HBA: 28 RingCount: 3
HBD: 15 FractionCSP3: 0.58
AlogP: 6.72 Num_rotatable_bonds: 24
MolWt: 1195.38 Num_heavy_atoms: 85
TPSA: 461.01 NumAromaticRings: 2

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O