Glycoside
...
GD108801

Name:
Amarogentin

Formula:
C29H30O13

Smiles:
C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)c2c(O)cc(O)cc2-c2cccc(O)c2)OC=C2C(=O)OCC[C@H]21

Aglycone:
C=CC1C(O)OC=C2C(=O)OCCC21.O=C(O)c1c(O)cc(O)cc1-c1cccc(O)c1

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

Other Identifiers

Properties
HBA: 13 RingCount: 5
HBD: 6 FractionCSP3: 0.38
AlogP: 1.06 Num_rotatable_bonds: 7
MolWt: 586.55 Num_heavy_atoms: 42
TPSA: 201.67 NumAromaticRings: 2

Unique Aglycone
AD06795
Formula: C10H12O4

Smiles:
C=CC1C(O)OC=C2C(=O)OCCC21
HBA: 4 RingCount: 2
HBD: 1 FractionCSP3: 0.5
AlogP: 0.58 Num_rotatable_bonds: 1
MolWt: 196.2 Num_heavy_atoms: 14
TPSA: 55.76 NumAromaticRings: 0
AD44490
Formula: C13H10O5

Smiles:
O=C(O)c1c(O)cc(O)cc1-c1cccc(O)c1
HBA: 5 RingCount: 2
HBD: 4 FractionCSP3: 0.0
AlogP: 2.17 Num_rotatable_bonds: 2
MolWt: 246.22 Num_heavy_atoms: 18
TPSA: 97.99 NumAromaticRings: 2

Sugarmoiety
SD00003

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