Glycoside
...
GD016029

Name:
methyl 2-(7-{[5-(acetyloxy)-4-[(4-hydroxy-5-methoxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl]oxy}-3-{[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}-5,10-dihydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl)-2-methoxyacetate

Formula:
C53H76O24

Smiles:
COC(=O)[C@H](OC)[C@@H]1Cc2cc3cc(O[C@@H]4C[C@H](O[C@@H]5C[C@H](O)[C@H](OC)[C@H](C)O5)[C@H](OC(C)=O)[C@H](C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1O[C@@H]1C[C@H](O[C@@H]2C[C@H](O[C@@H]3C[C@@](C)(O)[C@H](O)[C@H](C)O3)[C@H](O)[C@H](C)O2)[C@H](O)[C@H](C)O1

Aglycone:
COC(=O)C(OC)C1Cc2cc3cc(O)c(C)c(O)c3c(O)c2C(=O)C1O

Sugarmoiety:
CC1OC(O)CC(OC2CC(OC3CC(C)(O)C(O)C(C)O3)C(O)C(C)O2)C1O.COC1C(O)CC(OC2CC(O)OC(C)C2OC(C)=O)OC1C

Other Identifiers

Properties
HBA: 24 RingCount: 8
HBD: 7 FractionCSP3: 0.75
AlogP: 1.84 Num_rotatable_bonds: 15
MolWt: 1097.17 Num_heavy_atoms: 77
TPSA: 322.04 NumAromaticRings: 2

Unique Aglycone
AD11584
Formula: C19H20O8

Smiles:
COC(=O)C(OC)C1Cc2cc3cc(O)c(C)c(O)c3c(O)c2C(=O)C1O
HBA: 8 RingCount: 3
HBD: 4 FractionCSP3: 0.37
AlogP: 1.17 Num_rotatable_bonds: 3
MolWt: 376.36 Num_heavy_atoms: 27
TPSA: 133.52 NumAromaticRings: 2

Sugarmoiety
SD00997

CC1OC(O)CC(OC2CC(OC3CC(C)(O)C(O)C(C)O3)C(O)C(C)O2)C1O.COC1C(O)CC(OC2CC(O)OC(C)C2OC(C)=O)OC1C