Glycoside
...
GD157393

Name:
Tyrianthin 3

Formula:
C55H92O24

Smiles:
CC=C(C)C(=O)OC1C(C)OC(OC2C(C)OC3OC4C(OC(COC(=O)C(C)C(C)O)C(O)C4O)OC4C(OC(CCCCC)CCCCCCCCCC(=O)OC2C3OC(=O)C(C)C(C)O)OC(C)C(O)C4O)C(O)C1O

Aglycone:
CC=C(C)C(=O)O.CCCCCC1CCCCCCCCCC(=O)OC2C(O)C(C)OC(OC3C(OC(COC(=O)C(C)C(C)O)C(O)C3O)OC3C(O1)OC(C)C(O)C3O)C2OC(=O)C(C)C(C)O

Sugarmoiety:
CC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 24 RingCount: 5
HBD: 8 FractionCSP3: 0.89
AlogP: 2.04 Num_rotatable_bonds: 15
MolWt: 1137.32 Num_heavy_atoms: 79
TPSA: 340.88 NumAromaticRings: 0

Unique Aglycone
AD00342
Formula: C5H8O2

Smiles:
CC=C(C)C(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.4
AlogP: 1.04 Num_rotatable_bonds: 1
MolWt: 100.12 Num_heavy_atoms: 7
TPSA: 37.3 NumAromaticRings: 0
AD03379
Formula: C44H76O19

Smiles:
CCCCCC1CCCCCCCCCC(=O)OC2C(O)C(C)OC(OC3C(OC(COC(=O)C(C)C(C)O)C(O)C3O)OC3C(O1)OC(C)C(O)C3O)C2OC(=O)C(C)C(C)O
HBA: 19 RingCount: 4
HBD: 7 FractionCSP3: 0.93
AlogP: 1.67 Num_rotatable_bonds: 11
MolWt: 909.07 Num_heavy_atoms: 63
TPSA: 275.89 NumAromaticRings: 0

Sugarmoiety
SD00076

CC1OC(O)C(O)C(O)C1O