Glycoside
...
GD132298

Name:
None

Formula:
C98H162O28N10P2

Smiles:
CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2N=C(C)O)C(OC(C)C(O)=NC(C)C(O)=NC(CCC(O)=NC(CCCCN=C(O)CC(N)C(=O)O)C(O)=NC(C)C(O)=NC(C)C(=O)O)C(=N)O)C1N=C(C)O

Aglycone:
CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)O.CC(O)C(O)=NC(C)C(O)=NC(CCC(O)=NC(CCCCN=C(O)CC(N)C(=O)O)C(O)=NC(C)C(O)=NC(C)C(=O)O)C(=N)O

Sugarmoiety:
CC(O)=NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2N=C(C)O)C1O

Other Identifiers

Properties
HBA: 38 RingCount: 2
HBD: 20 FractionCSP3: 0.66
AlogP: 18.49 Num_rotatable_bonds: 67
MolWt: 1990.36 Num_heavy_atoms: 138
TPSA: 625.55 NumAromaticRings: 0

Unique Aglycone
AD24454
Formula: C55H92O7P2

Smiles:
CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)O
HBA: 7 RingCount: 0
HBD: 3 FractionCSP3: 0.6
AlogP: 18.44 Num_rotatable_bonds: 35
MolWt: 927.28 Num_heavy_atoms: 64
TPSA: 113.29 NumAromaticRings: 0
AD53558
Formula: C27H46O12N8

Smiles:
CC(O)C(O)=NC(C)C(O)=NC(CCC(O)=NC(CCCCN=C(O)CC(N)C(=O)O)C(O)=NC(C)C(O)=NC(C)C(=O)O)C(=N)O
HBA: 20 RingCount: 0
HBD: 13 FractionCSP3: 0.67
AlogP: 1.38 Num_rotatable_bonds: 22
MolWt: 674.71 Num_heavy_atoms: 47
TPSA: 360.47 NumAromaticRings: 0

Sugarmoiety
SD04412

CC(O)=NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2N=C(C)O)C1O