Glycoside
...
GD029871

Name:
None

Formula:
C39H58O9N2

Smiles:
C=C(C)[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)Cc6c[nH]nc6[C@](C)(COC(C)=O)[C@H]5CC[C@]43C)[C@H]12

Aglycone:
C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)Cc6c[nH]nc6C(C)(COC(C)=O)C5CCC43C)C12

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

Other Identifiers

Properties
HBA: 11 RingCount: 7
HBD: 5 FractionCSP3: 0.82
AlogP: 3.97 Num_rotatable_bonds: 6
MolWt: 698.9 Num_heavy_atoms: 50
TPSA: 171.43 NumAromaticRings: 1

Unique Aglycone
AD19376
Formula: C33H48O4N2

Smiles:
C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)Cc6c[nH]nc6C(C)(COC(C)=O)C5CCC43C)C12
HBA: 6 RingCount: 6
HBD: 2 FractionCSP3: 0.79
AlogP: 6.71 Num_rotatable_bonds: 4
MolWt: 536.76 Num_heavy_atoms: 39
TPSA: 92.28 NumAromaticRings: 1

Sugarmoiety
SD00003

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