Glycoside
...
GD017145

Name:
None

Formula:
C44H63O9N

Smiles:
CC(C)[C@H](C)[C@]1(C)CC[C@]2(C)[C@@H]3CC[C@H]4[C@]5(COC[C@]4(C)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@@H](n4ccc6ccccc64)C5)C3=CC[C@@]2(C)[C@H]1C(=O)O

Aglycone:
CC(C)C(C)C1(C)CCC2(C)C3CCC4C5(COCC4(C)C(O)C(n4ccc6ccccc64)C5)C3=CCC2(C)C1C(=O)O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 10 RingCount: 8
HBD: 5 FractionCSP3: 0.75
AlogP: 5.96 Num_rotatable_bonds: 7
MolWt: 749.99 Num_heavy_atoms: 54
TPSA: 150.84 NumAromaticRings: 2

Unique Aglycone
AD12274
Formula: C38H53O4N

Smiles:
CC(C)C(C)C1(C)CCC2(C)C3CCC4C5(COCC4(C)C(O)C(n4ccc6ccccc64)C5)C3=CCC2(C)C1C(=O)O
HBA: 5 RingCount: 7
HBD: 2 FractionCSP3: 0.71
AlogP: 8.13 Num_rotatable_bonds: 4
MolWt: 587.85 Num_heavy_atoms: 43
TPSA: 71.69 NumAromaticRings: 2

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O