Glycoside
...
GD141104

Name:
({4-[(3,4-dihydroxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)({hydroxy[(3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl)oxy]phosphoryl}oxy)phosphinic acid

Formula:
C73H122O21P2

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(O)C(OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C1O

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

Sugarmoiety:
CC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 3
HBD: 11 FractionCSP3: 0.7
AlogP: 12.94 Num_rotatable_bonds: 43
MolWt: 1397.71 Num_heavy_atoms: 96
TPSA: 330.51 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

Sugarmoiety
SD02933

CC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O