Glycoside
...
GD153935

Name:
6-({6-[(6-{[6-carbamoyl-4-(carbamoyloxy)-2-[({2-carboxy-2-[(3,8,8,14,18-pentamethyl-11-methylidenenonadeca-2,6,13,17-tetraen-1-yl)oxy]ethoxy}(hydroxy)phosphoryl)oxy]-5-hydroxy-5-methyloxan-3-yl]oxy}-5-acetamido-4-hydroxy-2-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-3-yl)oxy]-5-acetamido-4-hydroxy-2-methyloxan-3-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

Formula:
C64H103O33N4P

Smiles:
C=C(CC=C(C)CCC=C(C)C)CCC(C)(C)C=CCCC(C)=CCOC(COP(=O)(O)OC1OC(C(=N)O)C(C)(O)C(OC(=N)O)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(OC2OC(C)C(OC3OC(C(=O)O)C(O)C(O)C3O)C(O)C2N=C(C)O)C(O)C1N=C(C)O)C(=O)O

Aglycone:
C=C(CC=C(C)CCC=C(C)C)CCC(C)(C)C=CCCC(C)=CCOC(COP(=O)(O)O)C(=O)O

Sugarmoiety:
CC(O)=NC1C(OC2C(COC3OC(CO)C(O)C(O)C3O)OC(OC3C(O)OC(C(=N)O)C(C)(O)C3OC(=N)O)C(N=C(C)O)C2O)OC(C)C(OC2OC(C(=O)O)C(O)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 37 RingCount: 5
HBD: 19 FractionCSP3: 0.75
AlogP: 0.95 Num_rotatable_bonds: 36
MolWt: 1487.5 Num_heavy_atoms: 102
TPSA: 587.53 NumAromaticRings: 0

Unique Aglycone
AD10969
Formula: C28H47O7P

Smiles:
C=C(CC=C(C)CCC=C(C)C)CCC(C)(C)C=CCCC(C)=CCOC(COP(=O)(O)O)C(=O)O
HBA: 7 RingCount: 0
HBD: 3 FractionCSP3: 0.61
AlogP: 7.29 Num_rotatable_bonds: 19
MolWt: 526.65 Num_heavy_atoms: 36
TPSA: 113.29 NumAromaticRings: 0

Sugarmoiety
SD04387

CC(O)=NC1C(OC2C(COC3OC(CO)C(O)C(O)C3O)OC(OC3C(O)OC(C(=N)O)C(C)(O)C3OC(=N)O)C(N=C(C)O)C2O)OC(C)C(OC2OC(C(=O)O)C(O)C(O)C2O)C1O