Glycoside
...
GD019785

Name:
None

Formula:
C56H86O15

Smiles:
CCCCCCCC(=O)O[C@@H]1[C@H](C)O[C@H](O[C@@H]2[C@H](C)O[C@H](O[C@@H]3C(C)=CC[C@@H]4C[C@H](C[C@]5(C=C[C@H](C)[C@H]([C@H](C)CC)O5)O4)OC(=O)[C@@H]4C=C(C)[C@H](O)[C@@H]5OCC(=CC=C[C@H]3C)[C@@]54O)C[C@H]2OC)C[C@H]1OC

Aglycone:
CCC(C)C1OC2(C=CC1C)CC1CC(CC=C(C)C(O)C(C)C=CC=C3COC4C(O)C(C)=CC(C(=O)O1)C34O)O2.CCCCCCCC(=O)O

Sugarmoiety:
COC1CC(OC2C(C)OC(O)CC2OC)OC(C)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 7
HBD: 2 FractionCSP3: 0.79
AlogP: 8.29 Num_rotatable_bonds: 15
MolWt: 999.29 Num_heavy_atoms: 71
TPSA: 176.13 NumAromaticRings: 0

Unique Aglycone
AD00521
Formula: C34H48O8

Smiles:
CCC(C)C1OC2(C=CC1C)CC1CC(CC=C(C)C(O)C(C)C=CC=C3COC4C(O)C(C)=CC(C(=O)O1)C34O)O2
HBA: 8 RingCount: 5
HBD: 3 FractionCSP3: 0.68
AlogP: 4.31 Num_rotatable_bonds: 2
MolWt: 584.75 Num_heavy_atoms: 42
TPSA: 114.68 NumAromaticRings: 0
AD04095
Formula: C8H16O2

Smiles:
CCCCCCCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.88
AlogP: 2.43 Num_rotatable_bonds: 6
MolWt: 144.21 Num_heavy_atoms: 10
TPSA: 37.3 NumAromaticRings: 0

Sugarmoiety
SD00177

COC1CC(OC2C(C)OC(O)CC2OC)OC(C)C1O