Glycoside
...
GD138069

Name:
8-(22-hydroxy-21,40-dimethyl-3-oxo-26-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,11,15,35,39-pentaoxapentacyclo[32.2.2.1¹²,¹⁶.1²⁰,²⁴.0¹⁰,¹⁴]tetraconta-4,6,8,17,27,31,37-heptaen-36-yl)-6-methylnon-7-enoic acid

Formula:
C53H76O15

Smiles:
CC(=CC(C)CCCCC(=O)O)C1OC2C=CC1OC(=O)C=CC=CC=CC1OC3CC1OC(C=CCC1OC(CC(OC4OC(CO)C(O)C(O)C4O)C=CCCC=CC2)CC(O)C1C)C3C

Aglycone:
CC(=CC(C)CCCCC(=O)O)C1OC2C=CC1OC(=O)C=CC=CC=CC1OC3CC1OC(C=CCC1OC(CC(O)C=CCCC=CC2)CC(O)C1C)C3C

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 7
HBD: 6 FractionCSP3: 0.66
AlogP: 5.65 Num_rotatable_bonds: 10
MolWt: 953.18 Num_heavy_atoms: 68
TPSA: 220.13 NumAromaticRings: 0

Unique Aglycone
AD55750
Formula: C47H66O10

Smiles:
CC(=CC(C)CCCCC(=O)O)C1OC2C=CC1OC(=O)C=CC=CC=CC1OC3CC1OC(C=CCC1OC(CC(O)C=CCCC=CC2)CC(O)C1C)C3C
HBA: 10 RingCount: 6
HBD: 3 FractionCSP3: 0.62
AlogP: 7.83 Num_rotatable_bonds: 7
MolWt: 791.04 Num_heavy_atoms: 57
TPSA: 140.98 NumAromaticRings: 0

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O