Glycoside
...
GD154498

Name:
4,5-dihydroxy-2-methyl-6-{[4,5,11,12-tetrahydroxy-6-(hydroxymethyl)-13,31-dimethyl-33-[(2-methylbut-2-enoyl)oxy]-27-oxo-17-pentyl-2,7,9,14,16,28,32-heptaoxatetracyclo[27.3.1.0³,⁸.0¹⁰,¹⁵]tritriacontan-30-yl]oxy}oxan-3-yl 2-methylbut-2-enoate

Formula:
C50H82O21

Smiles:
CC=C(C)C(=O)OC1C(C)OC(OC2C(C)OC3OC4C(OC(CO)C(O)C4O)OC4C(OC(CCCCC)CCCCCCCCCC(=O)OC2C3OC(=O)C(C)=CC)OC(C)C(O)C4O)C(O)C1O

Aglycone:
CC=C(C)C(=O)O.CC=C(C)C(=O)OC1C2OC(C)C(O)C1OC(=O)CCCCCCCCCC(CCCCC)OC1OC(C)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O2

Sugarmoiety:
CC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 5
HBD: 7 FractionCSP3: 0.86
AlogP: 2.42 Num_rotatable_bonds: 11
MolWt: 1019.18 Num_heavy_atoms: 71
TPSA: 294.35 NumAromaticRings: 0

Unique Aglycone
AD00342
Formula: C5H8O2

Smiles:
CC=C(C)C(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.4
AlogP: 1.04 Num_rotatable_bonds: 1
MolWt: 100.12 Num_heavy_atoms: 7
TPSA: 37.3 NumAromaticRings: 0
AD15382
Formula: C39H66O16

Smiles:
CC=C(C)C(=O)OC1C2OC(C)C(O)C1OC(=O)CCCCCCCCCC(CCCCC)OC1OC(C)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O2
HBA: 16 RingCount: 4
HBD: 6 FractionCSP3: 0.9
AlogP: 2.05 Num_rotatable_bonds: 7
MolWt: 790.94 Num_heavy_atoms: 55
TPSA: 229.36 NumAromaticRings: 0

Sugarmoiety
SD00076

CC1OC(O)C(O)C(O)C1O