Glycoside
...
GD032498

Name:
None

Formula:
C55H87O16N

Smiles:
CCOC(CNC[C@]1(O)[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(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)OCC

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.CCOC(CNC)OCC

Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(O)(O)C(C)O1

Other Identifiers

Properties
HBA: 17 RingCount: 7
HBD: 4 FractionCSP3: 0.8
AlogP: 5.74 Num_rotatable_bonds: 16
MolWt: 1018.29 Num_heavy_atoms: 72
TPSA: 200.55 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
AD20840
Formula: C7H17O2N

Smiles:
CCOC(CNC)OCC
HBA: 3 RingCount: 0
HBD: 1 FractionCSP3: 1.0
AlogP: 0.6 Num_rotatable_bonds: 6
MolWt: 147.22 Num_heavy_atoms: 10
TPSA: 30.49 NumAromaticRings: 0

Sugarmoiety
SD00395

COC1CC(O)OC(C)C1OC1CC(OC)C(O)(O)C(C)O1