Glycoside
...
GD008983

Name:
None

Formula:
C48H70O13

Smiles:
CC(=O)OC1C(O[C@@H]2CC3C4CC=C5C[C@H](O)CC[C@@]5(C)C4CC[C@@]3(C)C2=C(C)COC(=O)CCC(C)C)OCC(O)C1OC1OCC(O)C(O)C1OC(C)c1ccccc1

Aglycone:
CC(COC(=O)CCC(C)C)=C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC12C.CC(O)c1ccccc1

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

Other Identifiers

Properties
HBA: 13 RingCount: 7
HBD: 4 FractionCSP3: 0.75
AlogP: 5.86 Num_rotatable_bonds: 13
MolWt: 855.08 Num_heavy_atoms: 61
TPSA: 179.67 NumAromaticRings: 1

Unique Aglycone
AD07100
Formula: C28H44O4

Smiles:
CC(COC(=O)CCC(C)C)=C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC12C
HBA: 4 RingCount: 4
HBD: 2 FractionCSP3: 0.82
AlogP: 5.58 Num_rotatable_bonds: 5
MolWt: 444.66 Num_heavy_atoms: 32
TPSA: 66.76 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