Glycoside
...
GD032930

Name:
EUCALMAIDIN C

Formula:
C25H34O12

Smiles:
COc1cc(C(=O)O)cc(OC)c1O[C@@H]1O[C@H](COC(=O)C2=CC[C@H](C(C)(C)O)CC2)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
COC(=O)C1=CCC(C(C)(C)O)CC1.COc1cc(C(=O)O)cc(OC)c1O

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 5 FractionCSP3: 0.6
AlogP: 0.63 Num_rotatable_bonds: 9
MolWt: 526.54 Num_heavy_atoms: 37
TPSA: 181.44 NumAromaticRings: 1

Unique Aglycone
AD04696
Formula: C11H18O3

Smiles:
COC(=O)C1=CCC(C(C)(C)O)CC1
HBA: 3 RingCount: 1
HBD: 1 FractionCSP3: 0.73
AlogP: 1.66 Num_rotatable_bonds: 2
MolWt: 198.26 Num_heavy_atoms: 14
TPSA: 46.53 NumAromaticRings: 0
AD16068
Formula: C9H10O5

Smiles:
COc1cc(C(=O)O)cc(OC)c1O
HBA: 5 RingCount: 1
HBD: 2 FractionCSP3: 0.22
AlogP: 1.11 Num_rotatable_bonds: 3
MolWt: 198.17 Num_heavy_atoms: 14
TPSA: 75.99 NumAromaticRings: 1

Sugarmoiety
SD00017

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