Glycoside
...
GD020428

Name:
None

Formula:
C30H44O13

Smiles:
CC(C=C[C@]1(O)C(C)(C)CCC[C@]1(C)O)=CC(=O)O[C@@H]1[C@H](O[C@@H]2OC=C[C@@H]3[C@H](O)[C@@H]4O[C@@]4(CO)[C@H]23)O[C@H](CO)[C@H](O)[C@H]1O

Aglycone:
CC(C=CC1(O)C(C)(C)CCCC1(C)O)=CC(=O)O.OCC12OC1C(O)C1C=COC(O)C12

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 5
HBD: 7 FractionCSP3: 0.77
AlogP: -0.84 Num_rotatable_bonds: 8
MolWt: 612.67 Num_heavy_atoms: 43
TPSA: 208.13 NumAromaticRings: 0

Unique Aglycone
AD04913
Formula: C9H12O5

Smiles:
OCC12OC1C(O)C1C=COC(O)C12
HBA: 5 RingCount: 3
HBD: 3 FractionCSP3: 0.78
AlogP: -1.41 Num_rotatable_bonds: 1
MolWt: 200.19 Num_heavy_atoms: 14
TPSA: 82.45 NumAromaticRings: 0
AD14104
Formula: C15H24O4

Smiles:
CC(C=CC1(O)C(C)(C)CCCC1(C)O)=CC(=O)O
HBA: 4 RingCount: 1
HBD: 3 FractionCSP3: 0.67
AlogP: 2.27 Num_rotatable_bonds: 3
MolWt: 268.35 Num_heavy_atoms: 19
TPSA: 77.76 NumAromaticRings: 0

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O