Glycoside
...
GD026672

Name:
None

Formula:
C54H81O16N

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@H](OCC(=O)N5CCOCC5)[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)N1CCOCC1

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

Other Identifiers

Properties
HBA: 17 RingCount: 8
HBD: 2 FractionCSP3: 0.78
AlogP: 5.26 Num_rotatable_bonds: 11
MolWt: 1000.23 Num_heavy_atoms: 71
TPSA: 188.6 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
AD17571
Formula: C6H11O3N

Smiles:
O=C(CO)N1CCOCC1
HBA: 4 RingCount: 1
HBD: 1 FractionCSP3: 0.83
AlogP: -1.16 Num_rotatable_bonds: 1
MolWt: 145.16 Num_heavy_atoms: 10
TPSA: 49.77 NumAromaticRings: 0

Sugarmoiety
SD00177

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