Glycoside
...
GD017385

Name:
TRICOLORIN C

Formula:
C50H86O22

Smiles:
CCCCC[C@@H]1CCCCCCCCCC(=O)O[C@@H]2[C@H](O[C@@H]3O[C@H](C)[C@H](OC(=O)[C@H](C)[C@H](C)O)[C@H](O[C@@H]4O[C@H](C)[C@H](O)[C@H](O)[C@H]4O)[C@H]3OC(=O)[C@H](C)CC)[C@H](O[C@H](CO)[C@H]2O)O[C@H]2[C@@H](O[C@@H](C)[C@@H](O)[C@H]2O)O1

Aglycone:
CC(O)C(C)C(=O)O.CCC(C)C(=O)O.CCCCCC1CCCCCCCCCC(=O)OC2C(O)C(CO)OC(OC3C(O1)OC(C)C(O)C3O)C2O

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

Other Identifiers

Properties
HBA: 22 RingCount: 5
HBD: 8 FractionCSP3: 0.94
AlogP: 1.55 Num_rotatable_bonds: 15
MolWt: 1039.22 Num_heavy_atoms: 72
TPSA: 314.58 NumAromaticRings: 0

Unique Aglycone
AD00363
Formula: C5H10O2

Smiles:
CCC(C)C(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.8
AlogP: 1.12 Num_rotatable_bonds: 2
MolWt: 102.13 Num_heavy_atoms: 7
TPSA: 37.3 NumAromaticRings: 0
AD01253
Formula: C28H50O11

Smiles:
CCCCCC1CCCCCCCCCC(=O)OC2C(O)C(CO)OC(OC3C(O1)OC(C)C(O)C3O)C2O
HBA: 11 RingCount: 3
HBD: 5 FractionCSP3: 0.96
AlogP: 1.68 Num_rotatable_bonds: 5
MolWt: 562.7 Num_heavy_atoms: 39
TPSA: 164.37 NumAromaticRings: 0
AD02264
Formula: C5H10O3

Smiles:
CC(O)C(C)C(=O)O
HBA: 3 RingCount: 0
HBD: 2 FractionCSP3: 0.8
AlogP: 0.09 Num_rotatable_bonds: 2
MolWt: 118.13 Num_heavy_atoms: 8
TPSA: 57.53 NumAromaticRings: 0

Sugarmoiety
SD00324

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