Glycoside
...
GD013172

Name:
None

Formula:
C47H70O13

Smiles:
CC(=O)OC1C(O[C@@H]2CC3C4CC=C5C[C@H](O)CC[C@@]5(C)C4CC[C@@]3(C)[C@@]2(O)[C@H](C)C(=O)CCC(C)C)OCC(O)C1OC1OCC(O)C(O)C1OC(C)c1ccccc1

Aglycone:
CC(C)CCC(=O)C(C)C1(O)C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C.CC(O)c1ccccc1

Sugarmoiety:
CC(=O)OC1C(O)OCC(O)C1OC1OCC(O)C(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 7
HBD: 5 FractionCSP3: 0.79
AlogP: 4.94 Num_rotatable_bonds: 13
MolWt: 843.06 Num_heavy_atoms: 60
TPSA: 190.67 NumAromaticRings: 1

Unique Aglycone
AD01328
Formula: C27H44O4

Smiles:
CC(C)CCC(=O)C(C)C1(O)C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C
HBA: 4 RingCount: 4
HBD: 3 FractionCSP3: 0.89
AlogP: 4.65 Num_rotatable_bonds: 5
MolWt: 432.65 Num_heavy_atoms: 31
TPSA: 77.76 NumAromaticRings: 0
AD07101
Formula: C8H10O

Smiles:
CC(O)c1ccccc1
HBA: 1 RingCount: 1
HBD: 1 FractionCSP3: 0.25
AlogP: 1.74 Num_rotatable_bonds: 1
MolWt: 122.17 Num_heavy_atoms: 9
TPSA: 20.23 NumAromaticRings: 1

Sugarmoiety
SD00355

CC(=O)OC1C(O)OCC(O)C1OC1OCC(O)C(O)C1O