Glycoside
...
GD137118

Name:
None

Formula:
C56H99O16N

Smiles:
CCCCCCCCCCCCCCCCCCC(OC(C)=O)C(O)=NC(COC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1O)C(OC(C)=O)C(CCCCCCCCCCCCCC)OC(C)=O

Aglycone:
CCCCCCCCCCCCCCCCCCC(OC(C)=O)C(O)=NC(CO)C(OC(C)=O)C(CCCCCCCCCCCCCC)OC(C)=O.COC(C)=O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(O)C1OC(C)=O

Other Identifiers

Properties
HBA: 17 RingCount: 1
HBD: 2 FractionCSP3: 0.88
AlogP: 11.38 Num_rotatable_bonds: 44
MolWt: 1042.4 Num_heavy_atoms: 73
TPSA: 229.08 NumAromaticRings: 0

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD55411
Formula: C44H83O8N

Smiles:
CCCCCCCCCCCCCCCCCCC(OC(C)=O)C(O)=NC(CO)C(OC(C)=O)C(CCCCCCCCCCCCCC)OC(C)=O
HBA: 9 RingCount: 0
HBD: 2 FractionCSP3: 0.91
AlogP: 11.84 Num_rotatable_bonds: 38
MolWt: 754.15 Num_heavy_atoms: 53
TPSA: 131.72 NumAromaticRings: 0

Sugarmoiety
SD00013

CC(=O)OC1C(O)OC(O)C(O)C1OC(C)=O