Glycoside
...
GD034326

Name:
None

Formula:
C35H44O15

Smiles:
CC(=O)O[C@@]12C[C@H](C)[C@@]3(O)[C@@H]4C=C(C)C(=O)[C@@]4(O)CC(CO[C@@H]4O[C@H](CO)[C@H](OC(=O)c5cc(O)c(O)c(O)c5)[C@H](O)[C@H]4O)=C[C@@H]3[C@H]1C2(C)C

Aglycone:
CC(=O)OC12CC(C)C3(O)C(C=C(CO)CC4(O)C(=O)C(C)=CC43)C1C2(C)C.O=C(O)c1cc(O)c(O)c(O)c1

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

Other Identifiers

Properties
HBA: 15 RingCount: 6
HBD: 8 FractionCSP3: 0.63
AlogP: 0.34 Num_rotatable_bonds: 7
MolWt: 704.72 Num_heavy_atoms: 50
TPSA: 249.97 NumAromaticRings: 1

Unique Aglycone
AD00518
Formula: C7H6O5

Smiles:
O=C(O)c1cc(O)c(O)c(O)c1
HBA: 5 RingCount: 1
HBD: 4 FractionCSP3: 0.0
AlogP: 0.5 Num_rotatable_bonds: 1
MolWt: 170.12 Num_heavy_atoms: 12
TPSA: 97.99 NumAromaticRings: 1
AD16288
Formula: C22H30O6

Smiles:
CC(=O)OC12CC(C)C3(O)C(C=C(CO)CC4(O)C(=O)C(C)=CC43)C1C2(C)C
HBA: 6 RingCount: 4
HBD: 3 FractionCSP3: 0.73
AlogP: 1.53 Num_rotatable_bonds: 2
MolWt: 390.48 Num_heavy_atoms: 28
TPSA: 104.06 NumAromaticRings: 0

Sugarmoiety
SD00003

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