Glycoside
...
GD138827

Name:
3-[(3,4-dihydroxy-6-{[3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-5-[(1-phenylcyclopentyl)methoxy]oxan-2-yl)methoxy]-3-oxopropanoic acid

Formula:
C36H36O12

Smiles:
O=C(O)CC(=O)OCC1OC(Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)C(OCC2(c3ccccc3)CCCC2)C(O)C1O

Aglycone:
COC(=O)CC(=O)O.O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12.OCC1(c2ccccc2)CCCC1

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

Other Identifiers

Properties
HBA: 12 RingCount: 6
HBD: 4 FractionCSP3: 0.36
AlogP: 3.91 Num_rotatable_bonds: 11
MolWt: 660.67 Num_heavy_atoms: 48
TPSA: 182.19 NumAromaticRings: 4

Unique Aglycone
AD04556
Formula: C15H10O4

Smiles:
O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12
HBA: 4 RingCount: 3
HBD: 2 FractionCSP3: 0.0
AlogP: 2.87 Num_rotatable_bonds: 1
MolWt: 254.24 Num_heavy_atoms: 19
TPSA: 70.67 NumAromaticRings: 3
AD04733
Formula: C4H6O4

Smiles:
COC(=O)CC(=O)O
HBA: 4 RingCount: 0
HBD: 1 FractionCSP3: 0.5
AlogP: -0.37 Num_rotatable_bonds: 2
MolWt: 118.09 Num_heavy_atoms: 8
TPSA: 63.6 NumAromaticRings: 0
AD56009
Formula: C12H16O

Smiles:
OCC1(c2ccccc2)CCCC1
HBA: 1 RingCount: 2
HBD: 1 FractionCSP3: 0.5
AlogP: 2.49 Num_rotatable_bonds: 2
MolWt: 176.26 Num_heavy_atoms: 13
TPSA: 20.23 NumAromaticRings: 1

Sugarmoiety
SD00017

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