Glycoside
...
GD026490

Name:
None

Formula:
C55H83O15N

Smiles:
CCC(C)[C@@H]1O[C@@]2(C=C[C@H]1C)C[C@@H]1C[C@H](CC=C(C)[C@H](OC3C[C@H](OC)[C@H](OC4C[C@H](OC)C(OCC(=O)N5CCCCC5)[C@H](C)O4)[C@H](C)O3)[C@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@]34O)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.O=C(CO)N1CCCCC1

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

Other Identifiers

Properties
HBA: 16 RingCount: 8
HBD: 2 FractionCSP3: 0.78
AlogP: 6.41 Num_rotatable_bonds: 11
MolWt: 998.26 Num_heavy_atoms: 71
TPSA: 179.37 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
AD17454
Formula: C7H13O2N

Smiles:
O=C(CO)N1CCCCC1
HBA: 3 RingCount: 1
HBD: 1 FractionCSP3: 0.86
AlogP: -0.01 Num_rotatable_bonds: 1
MolWt: 143.19 Num_heavy_atoms: 10
TPSA: 40.54 NumAromaticRings: 0

Sugarmoiety
SD00177

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