Glycoside
...
GD135649

Name:
2-acetyl-8-[(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy]-12a-{[4-({4-[(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy]-5-hydroxy-6-methyloxan-2-yl}oxy)-5-hydroxy-6-methyloxan-2-yl]oxy}-3,10,11-trihydroxy-4-methoxy-9-methyl-1,4,4a,5,12,12a-hexahydrotetracene-1,12-dione

Formula:
C48H64O21

Smiles:
COC1C(O)=C(C(C)=O)C(=O)C2(OC3CC(OC4CC(OC5CC(C)(O)C(O)C(C)O5)C(O)C(C)O4)C(O)C(C)O3)C(=O)c3c(cc4cc(OC5CC(C)(O)C(O)C(C)O5)c(C)c(O)c4c3O)CC12

Aglycone:
COC1C(O)=C(C(C)=O)C(=O)C2(O)C(=O)c3c(cc4cc(O)c(C)c(O)c4c3O)CC12

Sugarmoiety:
CC1OC(O)CC(C)(O)C1O.CC1OC(O)CC(OC2CC(OC3CC(C)(O)C(O)C(C)O3)C(O)C(C)O2)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 8
HBD: 9 FractionCSP3: 0.69
AlogP: 1.3 Num_rotatable_bonds: 10
MolWt: 977.02 Num_heavy_atoms: 69
TPSA: 316.35 NumAromaticRings: 2

Unique Aglycone
AD24585
Formula: C22H20O9

Smiles:
COC1C(O)=C(C(C)=O)C(=O)C2(O)C(=O)c3c(cc4cc(O)c(C)c(O)c4c3O)CC12
HBA: 9 RingCount: 4
HBD: 5 FractionCSP3: 0.32
AlogP: 1.35 Num_rotatable_bonds: 2
MolWt: 428.39 Num_heavy_atoms: 31
TPSA: 161.59 NumAromaticRings: 2

Sugarmoiety
SD07959

CC1OC(O)CC(C)(O)C1O.CC1OC(O)CC(OC2CC(OC3CC(C)(O)C(O)C(C)O3)C(O)C(C)O2)C1O