Glycoside
...
GD123488

Name:
methyl 2-ethyl-2,5,7-trihydroxy-4-{[4-hydroxy-5-({4-hydroxy-6-methyl-5-[(6-methyl-5-oxooxan-2-yl)oxy]oxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate

Formula:
C40H48O16

Smiles:
CCC1(O)CC(OC2CC(O)C(OC3CC(O)C(OC4CCC(=O)C(C)O4)C(C)O3)C(C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)C1C(=O)OC

Aglycone:
CC1OC(O)CCC1=O.CCC1(O)CC(O)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)C1C(=O)OC

Sugarmoiety:
CC1OC(OC2C(O)CC(O)OC2C)CC(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 7
HBD: 5 FractionCSP3: 0.6
AlogP: 2.59 Num_rotatable_bonds: 8
MolWt: 784.81 Num_heavy_atoms: 56
TPSA: 234.04 NumAromaticRings: 2

Unique Aglycone
AD00014
Formula: C6H10O3

Smiles:
CC1OC(O)CCC1=O
HBA: 3 RingCount: 1
HBD: 1 FractionCSP3: 0.83
AlogP: 0.07 Num_rotatable_bonds: 0
MolWt: 130.14 Num_heavy_atoms: 9
TPSA: 46.53 NumAromaticRings: 0
AD48735
Formula: C22H20O8

Smiles:
CCC1(O)CC(O)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)C1C(=O)OC
HBA: 8 RingCount: 4
HBD: 4 FractionCSP3: 0.32
AlogP: 1.71 Num_rotatable_bonds: 2
MolWt: 412.39 Num_heavy_atoms: 30
TPSA: 141.36 NumAromaticRings: 2

Sugarmoiety
SD00663

CC1OC(OC2C(O)CC(O)OC2C)CC(O)C1O