Glycoside
...
GD012923

Name:
None

Formula:
C55H85O14N

Smiles:
CCC(C)[C@@H]1O[C@@]2(C=C[C@H]1C)C[C@@H]1C[C@H](CC=C(C)C(O[C@@H]3C[C@H](OC)C(O[C@@H]4C[C@H](OC)[C@H](OCCN5CCCCC5)[C@H](C)O4)[C@H](C)O3)[C@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=CC(C(=O)O1)C34O)O2

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.OCCN1CCCCC1

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

Other Identifiers

Properties
HBA: 15 RingCount: 8
HBD: 2 FractionCSP3: 0.8
AlogP: 6.89 Num_rotatable_bonds: 12
MolWt: 984.28 Num_heavy_atoms: 70
TPSA: 162.3 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
AD09703
Formula: C7H15ON

Smiles:
OCCN1CCCCC1
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 1.0
AlogP: 0.46 Num_rotatable_bonds: 2
MolWt: 129.2 Num_heavy_atoms: 9
TPSA: 23.47 NumAromaticRings: 0

Sugarmoiety
SD00177

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