Glycoside
...
GD138825

Name:
(6-{4-[(3,4-dihydroxybenzoyloxy)methyl]phenoxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3,4,5-trihydroxybenzoate

Formula:
C27H26O14

Smiles:
O=C(OCc1ccc(OC2OC(COC(=O)c3cc(O)c(O)c(O)c3)C(O)C(O)C2O)cc1)c1ccc(O)c(O)c1

Aglycone:
COC(=O)c1cc(O)c(O)c(O)c1.O=C(OCc1ccc(O)cc1)c1ccc(O)c(O)c1

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

Other Identifiers

Properties
HBA: 14 RingCount: 4
HBD: 8 FractionCSP3: 0.26
AlogP: 0.61 Num_rotatable_bonds: 8
MolWt: 574.49 Num_heavy_atoms: 41
TPSA: 232.9 NumAromaticRings: 3

Unique Aglycone
AD00121
Formula: C8H8O5

Smiles:
COC(=O)c1cc(O)c(O)c(O)c1
HBA: 5 RingCount: 1
HBD: 3 FractionCSP3: 0.12
AlogP: 0.59 Num_rotatable_bonds: 1
MolWt: 184.15 Num_heavy_atoms: 13
TPSA: 86.99 NumAromaticRings: 1
AD49980
Formula: C14H12O5

Smiles:
O=C(OCc1ccc(O)cc1)c1ccc(O)c(O)c1
HBA: 5 RingCount: 2
HBD: 3 FractionCSP3: 0.07
AlogP: 2.16 Num_rotatable_bonds: 3
MolWt: 260.25 Num_heavy_atoms: 19
TPSA: 86.99 NumAromaticRings: 2

Sugarmoiety
SD00017

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