Glycoside
...
GD150416

Name:
Myrciacitrin Iv

Formula:
C32H32O13

Smiles:
Cc1c(O)c2c(c(C)c1OC1OC(COC(=O)C=Cc3ccc(O)cc3)C(O)C(O)C1O)OC(c1cc(O)ccc1O)CC2=O

Aglycone:
COC(=O)C=Cc1ccc(O)cc1.Cc1c(O)c(C)c2c(c1O)C(=O)CC(c1cc(O)ccc1O)O2

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

Other Identifiers

Properties
HBA: 13 RingCount: 5
HBD: 7 FractionCSP3: 0.31
AlogP: 2.28 Num_rotatable_bonds: 7
MolWt: 624.6 Num_heavy_atoms: 45
TPSA: 212.67 NumAromaticRings: 3

Unique Aglycone
AD00020
Formula: C10H10O3

Smiles:
COC(=O)C=Cc1ccc(O)cc1
HBA: 3 RingCount: 1
HBD: 1 FractionCSP3: 0.1
AlogP: 1.58 Num_rotatable_bonds: 2
MolWt: 178.19 Num_heavy_atoms: 13
TPSA: 46.53 NumAromaticRings: 1
AD59395
Formula: C17H16O6

Smiles:
Cc1c(O)c(C)c2c(c1O)C(=O)CC(c1cc(O)ccc1O)O2
HBA: 6 RingCount: 3
HBD: 4 FractionCSP3: 0.24
AlogP: 2.83 Num_rotatable_bonds: 1
MolWt: 316.31 Num_heavy_atoms: 23
TPSA: 107.22 NumAromaticRings: 2

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O