Glycoside
...
GD036615

Name:
None

Formula:
C66H108O18N2

Smiles:
COC(=O)CCCCCCCCCCNC(=O)[C@H]1O[C@@H](O[C@H]2[C@@H](O[C@@H]3CC[C@]4(C)[C@H](CC[C@]5(C)[C@H]4C(=O)C=C4[C@@H]6C[C@@](C)(C(=O)O)CC[C@@]6(C)CC[C@]45C)C3(C)C)O[C@@H](C(=O)NCCCCCCCCCCC(=O)OC)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O

Aglycone:
CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1.COC(=O)CCCCCCCCCCNC=O.COC(=O)CCCCCCCCCCNC=O

Sugarmoiety:
OC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 7
HBD: 8 FractionCSP3: 0.88
AlogP: 7.68 Num_rotatable_bonds: 29
MolWt: 1217.59 Num_heavy_atoms: 86
TPSA: 303.24 NumAromaticRings: 0

Unique Aglycone
AD02343
Formula: C30H46O4

Smiles:
CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
HBA: 4 RingCount: 5
HBD: 2 FractionCSP3: 0.87
AlogP: 6.41 Num_rotatable_bonds: 1
MolWt: 470.69 Num_heavy_atoms: 34
TPSA: 74.6 NumAromaticRings: 0
AD23084
Formula: C13H25O3N

Smiles:
COC(=O)CCCCCCCCCCNC=O
HBA: 4 RingCount: 0
HBD: 1 FractionCSP3: 0.85
AlogP: 2.42 Num_rotatable_bonds: 12
MolWt: 243.35 Num_heavy_atoms: 17
TPSA: 55.4 NumAromaticRings: 0

Sugarmoiety
SD00502

OC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1O