Glycoside
...
GD131268

Name:
Matteuorienate C

Formula:
C29H32O13

Smiles:
Cc1c(OC2OC(COC(=O)CC(C)(O)CC(=O)O)C(O)C(O)C2O)c(C)c2oc(-c3ccccc3)cc(=O)c2c1O

Aglycone:
COC(=O)CC(C)(O)CC(=O)O.Cc1c(O)c(C)c2oc(-c3ccccc3)cc(=O)c2c1O

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

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 6 FractionCSP3: 0.41
AlogP: 1.13 Num_rotatable_bonds: 9
MolWt: 588.56 Num_heavy_atoms: 42
TPSA: 213.42 NumAromaticRings: 3

Unique Aglycone
AD01854
Formula: C7H12O5

Smiles:
COC(=O)CC(C)(O)CC(=O)O
HBA: 5 RingCount: 0
HBD: 2 FractionCSP3: 0.71
AlogP: -0.22 Num_rotatable_bonds: 4
MolWt: 176.17 Num_heavy_atoms: 12
TPSA: 83.83 NumAromaticRings: 0
AD53188
Formula: C17H14O4

Smiles:
Cc1c(O)c(C)c2oc(-c3ccccc3)cc(=O)c2c1O
HBA: 4 RingCount: 3
HBD: 2 FractionCSP3: 0.12
AlogP: 3.49 Num_rotatable_bonds: 1
MolWt: 282.3 Num_heavy_atoms: 21
TPSA: 70.67 NumAromaticRings: 3

Sugarmoiety
SD00017

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