Glycoside
...
GD142192

Name:
6''-o-trans-feruloylgenipin gentiobioside

Formula:
C33H42O18

Smiles:
COC(=O)C1=COC(OC2OC(COC3OC(COC(=O)C=Cc4ccc(O)c(OC)c4)C(O)C(O)C3O)C(O)C(O)C2O)C2C(CO)=CCC12

Aglycone:
COC(=O)C1=COC(O)C2C(CO)=CCC12.COC(=O)C=Cc1ccc(O)c(OC)c1

Sugarmoiety:
OC1OC(COC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 5
HBD: 8 FractionCSP3: 0.58
AlogP: -2.43 Num_rotatable_bonds: 12
MolWt: 726.68 Num_heavy_atoms: 51
TPSA: 269.82 NumAromaticRings: 1

Unique Aglycone
AD00132
Formula: C11H12O4

Smiles:
COC(=O)C=Cc1ccc(O)c(OC)c1
HBA: 4 RingCount: 1
HBD: 1 FractionCSP3: 0.18
AlogP: 1.59 Num_rotatable_bonds: 3
MolWt: 208.21 Num_heavy_atoms: 15
TPSA: 55.76 NumAromaticRings: 1
AD01075
Formula: C11H14O5

Smiles:
COC(=O)C1=COC(O)C2C(CO)=CCC12
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.55
AlogP: -0.05 Num_rotatable_bonds: 2
MolWt: 226.23 Num_heavy_atoms: 16
TPSA: 75.99 NumAromaticRings: 0

Sugarmoiety
SD00315

OC1OC(COC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O