Glycoside
...
GD149320

Name:
Amaroswerin

Formula:
C29H30O14

Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2OC(=O)c2c(O)cc(O)cc2-c2cccc(O)c2)OC=C2C(=O)OCCC21O

Aglycone:
C=CC1C(O)OC=C2C(=O)OCCC21O.O=C(O)c1c(O)cc(O)cc1-c1cccc(O)c1

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

Other Identifiers

Properties
HBA: 14 RingCount: 5
HBD: 7 FractionCSP3: 0.38
AlogP: 0.17 Num_rotatable_bonds: 7
MolWt: 602.55 Num_heavy_atoms: 43
TPSA: 221.9 NumAromaticRings: 2

Unique Aglycone
AD13512
Formula: C10H12O5

Smiles:
C=CC1C(O)OC=C2C(=O)OCCC21O
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.5
AlogP: -0.3 Num_rotatable_bonds: 1
MolWt: 212.2 Num_heavy_atoms: 15
TPSA: 75.99 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