Glycoside
...
GD121253

Name:
6-{4-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-5-ethyl-2-hydroxy-6-methyloxan-2-yl}-5-hydroxy-2,4-dimethylheptan-3-yl 10-{4-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-5-ethyl-2-hydroxy-6-methyloxan-2-yl}-9-hydroxy-6,8-dimethyl-7-(penta-2,4-dienoyloxy)undeca-2,4-dienoate

Formula:
C55H92O18

Smiles:
C=CC=CC(=O)OC(C(C)C=CC=CC(=O)OC(C(C)C)C(C)C(O)C(C)C1(O)CC(OC2CC(O)C(O)C(C)O2)C(CC)C(C)O1)C(C)C(O)C(C)C1(O)CC(OC2CC(O)C(O)C(C)O2)C(CC)C(C)O1

Aglycone:
C=CC=CC(=O)OC(C(C)C=CC=CC(=O)OC(C(C)C)C(C)C(O)C(C)C1(O)CC(O)C(CC)C(C)O1)C(C)C(O)C(C)C1(O)CC(O)C(CC)C(C)O1

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

Other Identifiers

Properties
HBA: 18 RingCount: 4
HBD: 8 FractionCSP3: 0.82
AlogP: 4.75 Num_rotatable_bonds: 23
MolWt: 1041.32 Num_heavy_atoms: 73
TPSA: 269.82 NumAromaticRings: 0

Unique Aglycone
AD48790
Formula: C43H72O12

Smiles:
C=CC=CC(=O)OC(C(C)C=CC=CC(=O)OC(C(C)C)C(C)C(O)C(C)C1(O)CC(O)C(CC)C(C)O1)C(C)C(O)C(C)C1(O)CC(O)C(CC)C(C)O1
HBA: 12 RingCount: 2
HBD: 6 FractionCSP3: 0.77
AlogP: 4.99 Num_rotatable_bonds: 19
MolWt: 781.04 Num_heavy_atoms: 55
TPSA: 192.44 NumAromaticRings: 0

Sugarmoiety
SD00486

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