Glycoside
...
GD132752

Name:
None

Formula:
C69H128O24N2

Smiles:
CCCCCCCCCCCCCCCC=CCC(O)C(O)C(N=C(O)C(O)CCCCCCCCCCCCCCCCCCCCCC)OC1OC(CO)C(OC2OC(CO)C(O)C(OC3(C(=O)O)CC(O)C(N=C(O)COC)C(C(O)C(O)CO)O3)C2O)C(O)C1O

Aglycone:
CCCCCCCCCCCCCCCC=CCC(O)C(O)C(O)N=C(O)C(O)CCCCCCCCCCCCCCCCCCCCCC.COCC(O)=NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO

Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 26 RingCount: 3
HBD: 16 FractionCSP3: 0.93
AlogP: 6.27 Num_rotatable_bonds: 56
MolWt: 1369.77 Num_heavy_atoms: 95
TPSA: 430.08 NumAromaticRings: 0

Unique Aglycone
AD53743
Formula: C45H89O5N

Smiles:
CCCCCCCCCCCCCCCC=CCC(O)C(O)C(O)N=C(O)C(O)CCCCCCCCCCCCCCCCCCCCCC
HBA: 6 RingCount: 0
HBD: 5 FractionCSP3: 0.93
AlogP: 12.98 Num_rotatable_bonds: 41
MolWt: 724.21 Num_heavy_atoms: 51
TPSA: 113.51 NumAromaticRings: 0
AD53744
Formula: C12H21O10N

Smiles:
COCC(O)=NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO
HBA: 11 RingCount: 1
HBD: 7 FractionCSP3: 0.83
AlogP: -3.4 Num_rotatable_bonds: 7
MolWt: 339.3 Num_heavy_atoms: 23
TPSA: 189.5 NumAromaticRings: 0

Sugarmoiety
SD00078

OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O