Glycoside
...
GD146611

Name:
6-({4-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-3-hydroxy-5-methylcyclohexyl}oxy)-8,9-dihydroxy-3-(3-hydroxy-1-methoxy-4-methyl-2-oxopentyl)-2-({5-hydroxy-4-[(4-hydroxy-5-methoxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-1,2,3,4-tetrahydroanthracen-1-one

Formula:
C47H68O19

Smiles:
COC(C(=O)C(O)C(C)C)C1Cc2cc3cc(OC4CC(C)C(OC5CC(O)C(O)C(C)O5)C(O)C4)cc(O)c3c(O)c2C(=O)C1OC1CC(OC2CC(O)C(OC)C(C)O2)C(O)C(C)O1

Aglycone:
COC(C(=O)C(O)C(C)C)C1Cc2cc3cc(OC4CC(C)C(O)C(O)C4)cc(O)c3c(O)c2C(=O)C1O

Sugarmoiety:
CC1OC(O)CC(O)C1O.COC1C(O)CC(OC2CC(O)OC(C)C2O)OC1C

Other Identifiers

Properties
HBA: 19 RingCount: 7
HBD: 8 FractionCSP3: 0.74
AlogP: 1.76 Num_rotatable_bonds: 14
MolWt: 937.04 Num_heavy_atoms: 66
TPSA: 279.05 NumAromaticRings: 2

Unique Aglycone
AD58769
Formula: C28H36O10

Smiles:
COC(C(=O)C(O)C(C)C)C1Cc2cc3cc(OC4CC(C)C(O)C(O)C4)cc(O)c3c(O)c2C(=O)C1O
HBA: 10 RingCount: 4
HBD: 6 FractionCSP3: 0.57
AlogP: 1.47 Num_rotatable_bonds: 7
MolWt: 532.59 Num_heavy_atoms: 38
TPSA: 173.98 NumAromaticRings: 2

Sugarmoiety
SD09351

CC1OC(O)CC(O)C1O.COC1C(O)CC(OC2CC(O)OC(C)C2O)OC1C