Glycoside
...
GD114834

Name:
3-(3,4-dihydroxyphenyl)-1-{3-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-2,4,6-trihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl}propan-1-one

Formula:
C36H36O17

Smiles:
O=C(CCc1ccc(O)c(O)c1)c1c(O)c(C2OC(CO)C(O)C(O)C2O)c(O)c(C2c3c(O)cc(O)cc3OC(c3ccc(O)c(O)c3)C2O)c1O

Aglycone:
O=C(CCc1ccc(O)c(O)c1)c1c(O)cc(O)c(C2c3c(O)cc(O)cc3OC(c3ccc(O)c(O)c3)C2O)c1O

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

Other Identifiers

Properties
HBA: 17 RingCount: 6
HBD: 14 FractionCSP3: 0.31
AlogP: 0.99 Num_rotatable_bonds: 8
MolWt: 740.67 Num_heavy_atoms: 53
TPSA: 318.75 NumAromaticRings: 4

Unique Aglycone
AD45315
Formula: C30H26O12

Smiles:
O=C(CCc1ccc(O)c(O)c1)c1c(O)cc(O)c(C2c3c(O)cc(O)cc3OC(c3ccc(O)c(O)c3)C2O)c1O
HBA: 12 RingCount: 5
HBD: 10 FractionCSP3: 0.17
AlogP: 3.48 Num_rotatable_bonds: 6
MolWt: 578.53 Num_heavy_atoms: 42
TPSA: 228.6 NumAromaticRings: 4

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O