Glycoside
...
GD106783

Name:
None

Formula:
C37H48O11N

Smiles:
C[C@@H]1C[N@H+]2C[C@H]3CC[C@@]45C[C@@H](C6=C4[C@@]4(CC6)C(=O)[C@@H]1C[C@@H]2[C@@]34C)[C@H]1O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=C[C@@H]3OC(=O)[C@@]15[C@H]23

Aglycone:
CC1C[NH+]2CC3CCC45CC(C6=C4C4(CC6)C(=O)C1CC2C34C)C1OC(O)C2C(CO)=CC3OC(=O)C15C32

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

Other Identifiers

Properties
HBA: 12 RingCount: 11
HBD: 6 FractionCSP3: 0.84
AlogP: -1.38 Num_rotatable_bonds: 4
MolWt: 682.79 Num_heavy_atoms: 49
TPSA: 176.65 NumAromaticRings: 0

Unique Aglycone
AD44211
Formula: C31H38O6N

Smiles:
CC1C[NH+]2CC3CCC45CC(C6=C4C4(CC6)C(=O)C1CC2C34C)C1OC(O)C2C(CO)=CC3OC(=O)C15C32
HBA: 7 RingCount: 10
HBD: 3 FractionCSP3: 0.81
AlogP: 0.8 Num_rotatable_bonds: 1
MolWt: 520.65 Num_heavy_atoms: 38
TPSA: 97.5 NumAromaticRings: 0

Sugarmoiety
SD00003

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