Glycoside
...
GD144990

Name:
Qniumucin

Formula:
C54H96O27N12P2

Smiles:
CC(O)=NC1C(OC(C)C(N)C(O)=NC(C(O)=NC(C)C(O)=NC(C)C(=O)N2CCCC2C(O)=NC(C(O)=NC(C(O)=NC(CCC(=O)O)C(=O)O)C(C)C)C(C)C)C(C)OC2OC(COP(=O)(O)CCN)C(O)C(O)C2N=C(C)O)OC(COP(=O)(O)CCN)C(O)C1O

Aglycone:
CC(N=C(O)C(C)N=C(O)C(N=C(O)C(N)C(C)O)C(C)O)C(=O)N1CCCC1C(O)=NC(C(O)=NC(C(O)=NC(CCC(=O)O)C(=O)O)C(C)C)C(C)C.COP(=O)(O)CCN.COP(=O)(O)CCN

Sugarmoiety:
CC(O)=NC1C(O)OC(O)C(O)C1O.CC(O)=NC1C(O)OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 39 RingCount: 3
HBD: 22 FractionCSP3: 0.8
AlogP: -0.73 Num_rotatable_bonds: 37
MolWt: 1407.37 Num_heavy_atoms: 95
TPSA: 644.59 NumAromaticRings: 0

Unique Aglycone
AD08951
Formula: C3H10O3NP

Smiles:
COP(=O)(O)CCN
HBA: 4 RingCount: 0
HBD: 3 FractionCSP3: 1.0
AlogP: -0.22 Num_rotatable_bonds: 3
MolWt: 139.09 Num_heavy_atoms: 8
TPSA: 72.55 NumAromaticRings: 0
AD58225
Formula: C34H58O13N8

Smiles:
CC(N=C(O)C(C)N=C(O)C(N=C(O)C(N)C(C)O)C(C)O)C(=O)N1CCCC1C(O)=NC(C(O)=NC(C(O)=NC(CCC(=O)O)C(=O)O)C(C)C)C(C)C
HBA: 21 RingCount: 1
HBD: 12 FractionCSP3: 0.74
AlogP: 1.32 Num_rotatable_bonds: 21
MolWt: 786.88 Num_heavy_atoms: 55
TPSA: 356.93 NumAromaticRings: 0

Sugarmoiety
SD09154

CC(O)=NC1C(O)OC(O)C(O)C1O.CC(O)=NC1C(O)OC(O)C(O)C1O