Glycoside
...
GD133850

Name:
3-methoxy-4-[(3,4,5-trihydroxy-6-{[4-hydroxy-3-methoxy-5-(2-phenylethoxy)benzoyloxy]methyl}oxan-2-yl)oxy]benzoic acid

Formula:
C30H32O13

Smiles:
COc1cc(C(=O)O)ccc1OC1OC(COC(=O)c2cc(OC)c(O)c(OCCc3ccccc3)c2)C(O)C(O)C1O

Aglycone:
COC(=O)c1cc(OC)c(O)c(OCCc2ccccc2)c1.COc1cc(C(=O)O)ccc1O

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

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 5 FractionCSP3: 0.33
AlogP: 1.77 Num_rotatable_bonds: 12
MolWt: 600.57 Num_heavy_atoms: 43
TPSA: 190.67 NumAromaticRings: 3

Unique Aglycone
AD08832
Formula: C8H8O4

Smiles:
COc1cc(C(=O)O)ccc1O
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.12
AlogP: 1.1 Num_rotatable_bonds: 2
MolWt: 168.15 Num_heavy_atoms: 12
TPSA: 66.76 NumAromaticRings: 1
AD46240
Formula: C17H18O5

Smiles:
COC(=O)c1cc(OC)c(O)c(OCCc2ccccc2)c1
HBA: 5 RingCount: 2
HBD: 1 FractionCSP3: 0.24
AlogP: 2.81 Num_rotatable_bonds: 6
MolWt: 302.33 Num_heavy_atoms: 22
TPSA: 64.99 NumAromaticRings: 2

Sugarmoiety
SD00017

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