Glycoside
...
GD133478

Name:
2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-7-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-yl]-7-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-yl]-7-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one

Formula:
C63H66O31

Smiles:
O=C1CC(c2ccc(O)c(O)c2)Oc2c1c(OC1OC(CO)C(O)C(O)C1O)cc(O)c2C1CC(c2ccc(O)c(O)c2)Oc2c(C3CC(c4ccc(O)c(O)c4)Oc4cc(O)cc(OC5OC(CO)C(O)C(O)C5O)c43)c(O)cc(OC3OC(CO)C(O)C(O)C3O)c21

Aglycone:
O=C1CC(c2ccc(O)c(O)c2)Oc2c1c(O)cc(O)c2C1CC(c2ccc(O)c(O)c2)Oc2c(C3CC(c4ccc(O)c(O)c4)Oc4cc(O)cc(O)c43)c(O)cc(O)c21

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

Other Identifiers

Properties
HBA: 31 RingCount: 12
HBD: 21 FractionCSP3: 0.41
AlogP: -0.41 Num_rotatable_bonds: 14
MolWt: 1319.19 Num_heavy_atoms: 94
TPSA: 524.97 NumAromaticRings: 6

Unique Aglycone
AD45911
Formula: C45H36O16

Smiles:
O=C1CC(c2ccc(O)c(O)c2)Oc2c1c(O)cc(O)c2C1CC(c2ccc(O)c(O)c2)Oc2c(C3CC(c4ccc(O)c(O)c4)Oc4cc(O)cc(O)c43)c(O)cc(O)c21
HBA: 16 RingCount: 9
HBD: 12 FractionCSP3: 0.18
AlogP: 7.17 Num_rotatable_bonds: 5
MolWt: 832.77 Num_heavy_atoms: 61
TPSA: 287.52 NumAromaticRings: 6

Sugarmoiety
SD00130

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