Glycoside
...
GD022001

Name:
8-(4-{4-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-3-ethyl-2-methyl-3,4-dihydro-2H-pyran-6-yl}-3-hydroxypentan-2-yl)-16-(4-{4-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-5-ethyl-2-hydroxy-6-methyloxan-2-yl}-3-hydroxypentan-2-yl)-7,15-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione

Formula:
C54H86O17

Smiles:
CC[C@H]1[C@H](C)OC([C@H](C)[C@H](O)[C@H](C)[C@@H]2OC(=O)C=CC=C[C@H](C)[C@H]([C@H](C)[C@H](O)[C@H](C)[C@]3(O)C[C@H](O[C@@H]4C[C@H](O)[C@H](O)[C@H](C)O4)[C@H](CC)[C@H](C)O3)OC(=O)C=CC=C[C@H]2C)=C[C@H]1O[C@@H]1C[C@H](O)[C@H](O)[C@H](C)O1

Aglycone:
CCC1C(O)C=C(C(C)C(O)C(C)C2OC(=O)C=CC=CC(C)C(C(C)C(O)C(C)C3(O)CC(O)C(CC)C(C)O3)OC(=O)C=CC=CC2C)OC1C

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

Other Identifiers

Properties
HBA: 17 RingCount: 5
HBD: 7 FractionCSP3: 0.78
AlogP: 4.92 Num_rotatable_bonds: 14
MolWt: 1007.27 Num_heavy_atoms: 71
TPSA: 249.59 NumAromaticRings: 0

Unique Aglycone
AD14968
Formula: C42H66O11

Smiles:
CCC1C(O)C=C(C(C)C(O)C(C)C2OC(=O)C=CC=CC(C)C(C(C)C(O)C(C)C3(O)CC(O)C(CC)C(C)O3)OC(=O)C=CC=CC2C)OC1C
HBA: 11 RingCount: 3
HBD: 5 FractionCSP3: 0.71
AlogP: 5.16 Num_rotatable_bonds: 10
MolWt: 746.98 Num_heavy_atoms: 53
TPSA: 172.21 NumAromaticRings: 0

Sugarmoiety
SD00486

CC1OC(O)CC(O)C1O.CC1OC(O)CC(O)C1O