Glycoside
...
GD016371

Name:
4,5-dihydroxy-6-methyl-2-({1,1,4,7-tetramethyl-decahydro-1H-cyclopropa[e]azulen-4-yl}oxy)oxan-3-yl 3-methylpent-2-enoate

Formula:
C27H44O6

Smiles:
CCC(C)=CC(=O)O[C@@H]1[C@H](O[C@@]2(C)CC[C@@H]3[C@H]([C@H]4[C@H](C)CC[C@H]42)C3(C)C)O[C@H](C)[C@H](O)[C@H]1O

Aglycone:
CC1CCC2C1C1C(CCC2(C)O)C1(C)C.CCC(C)=CC(=O)O

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

Other Identifiers

Properties
HBA: 6 RingCount: 4
HBD: 2 FractionCSP3: 0.89
AlogP: 4.22 Num_rotatable_bonds: 5
MolWt: 464.64 Num_heavy_atoms: 33
TPSA: 85.22 NumAromaticRings: 0

Unique Aglycone
AD02169
Formula: C6H10O2

Smiles:
CCC(C)=CC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.5
AlogP: 1.43 Num_rotatable_bonds: 2
MolWt: 114.14 Num_heavy_atoms: 8
TPSA: 37.3 NumAromaticRings: 0
AD02650
Formula: C15H26O

Smiles:
CC1CCC2C1C1C(CCC2(C)O)C1(C)C
HBA: 1 RingCount: 3
HBD: 1 FractionCSP3: 1.0
AlogP: 3.47 Num_rotatable_bonds: 0
MolWt: 222.37 Num_heavy_atoms: 16
TPSA: 20.23 NumAromaticRings: 0

Sugarmoiety
SD00076

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