Glycoside
...
GD019779

Name:
None

Formula:
C39H60O9N2

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](n4cccn4)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(n4cccn4)C5)C3=CCC2(C)C1C(=O)O

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

Other Identifiers

Properties
HBA: 11 RingCount: 7
HBD: 5 FractionCSP3: 0.85
AlogP: 4.2 Num_rotatable_bonds: 7
MolWt: 700.91 Num_heavy_atoms: 50
TPSA: 163.73 NumAromaticRings: 1

Unique Aglycone
AD13759
Formula: C33H50O4N2

Smiles:
CC(C)C(C)C1(C)CCC2(C)C3CCC4C5(COCC4(C)C(O)C(n4cccn4)C5)C3=CCC2(C)C1C(=O)O
HBA: 6 RingCount: 6
HBD: 2 FractionCSP3: 0.82
AlogP: 6.37 Num_rotatable_bonds: 4
MolWt: 538.77 Num_heavy_atoms: 39
TPSA: 84.58 NumAromaticRings: 1

Sugarmoiety
SD00003

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