Glycoside
...
GD147962

Name:
46-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-8-yl]-7,8,9,12,13,14,25,26,27,30,31,32,35,36,37-pentadecahydroxy-3,18,21,41,43-pentaoxanonacyclo[27.13.3.1³⁸,⁴².0²,²⁰.0⁵,¹⁰.0¹¹,¹⁶.0²³,²⁸.0³³,⁴⁵.0³⁴,³⁹]hexatetraconta-5,7,9,11(16),12,14,23,25,27,29(45),30,32,34,36,38-pentadecaene-4,17,22,40,44-pentone

Formula:
C62H46O37

Smiles:
O=C1OCC2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)c4c3C(=O)OC(C2OC(=O)c2cc(O)c(O)c(O)c2-c2c1cc(O)c(O)c2O)C1OC(=O)c2c-4c(O)c(O)c(O)c2C1c1c(O)cc(O)c2c1OC(c1ccc(O)c(O)c1)C(OC1OC(CO)C(O)C(O)C1O)C2=O

Aglycone:
O=C1OCC2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)c4c3C(=O)OC(C2OC(=O)c2cc(O)c(O)c(O)c2-c2c1cc(O)c(O)c2O)C1OC(=O)c2c-4c(O)c(O)c(O)c2C1c1c(O)cc(O)c2c1OC(c1ccc(O)c(O)c1)C(O)C2=O

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

Other Identifiers

Properties
HBA: 37 RingCount: 14
HBD: 23 FractionCSP3: 0.23
AlogP: 0.74 Num_rotatable_bonds: 5
MolWt: 1383.01 Num_heavy_atoms: 99
TPSA: 641.55 NumAromaticRings: 7

Unique Aglycone
AD59228
Formula: C56H36O32

Smiles:
O=C1OCC2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)c4c3C(=O)OC(C2OC(=O)c2cc(O)c(O)c(O)c2-c2c1cc(O)c(O)c2O)C1OC(=O)c2c-4c(O)c(O)c(O)c2C1c1c(O)cc(O)c2c1OC(c1ccc(O)c(O)c1)C(O)C2=O
HBA: 32 RingCount: 13
HBD: 20 FractionCSP3: 0.14
AlogP: 2.92 Num_rotatable_bonds: 2
MolWt: 1220.87 Num_heavy_atoms: 88
TPSA: 562.4 NumAromaticRings: 7

Sugarmoiety
SD00003

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