Glycoside
...
GD133470

Name:
[6-({26-[(3-{[4-(dimethylamino)butyl](methyl)amino}propyl)carbamoyl]-7-hydroxy-14-oxohexacosan-6-yl}oxy)-3-hydroxy-4,5-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxan-2-yl]methyl acetate

Formula:
C57H107O20N3

Smiles:
CCCCCC(OC1OC(COC(C)=O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC1OC(CO)C(O)C(O)C1O)C(O)CCCCCCC(=O)CCCCCCCCCCCCC(O)=NCCCN(C)CCCCN(C)C

Aglycone:
CCCCCC(O)C(O)CCCCCCC(=O)CCCCCCCCCCCCC(O)=NCCCN(C)CCCCN(C)C.COC(C)=O

Sugarmoiety:
OCC1OC(OC2C(O)OC(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 23 RingCount: 3
HBD: 11 FractionCSP3: 0.95
AlogP: 2.54 Num_rotatable_bonds: 44
MolWt: 1154.48 Num_heavy_atoms: 80
TPSA: 340.12 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
AD54022
Formula: C37H75O4N3

Smiles:
CCCCCC(O)C(O)CCCCCCC(=O)CCCCCCCCCCCCC(O)=NCCCN(C)CCCCN(C)C
HBA: 7 RingCount: 0
HBD: 3 FractionCSP3: 0.95
AlogP: 8.5 Num_rotatable_bonds: 34
MolWt: 626.02 Num_heavy_atoms: 44
TPSA: 96.6 NumAromaticRings: 0

Sugarmoiety
SD00715

OCC1OC(OC2C(O)OC(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O