Glycoside
...
GD018498

Name:
None

Formula:
C36H63O12N

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](NC)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)[C@H](O)[C@]1(C)O

Aglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(NC)C2O)C2(C)CC(C)=C(O2)C(C)C(O)C1(C)O

Sugarmoiety:
COC1(C)CC(O)OC(C)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 5 FractionCSP3: 0.92
AlogP: 2.55 Num_rotatable_bonds: 7
MolWt: 701.9 Num_heavy_atoms: 49
TPSA: 174.63 NumAromaticRings: 0

Unique Aglycone
AD13046
Formula: C28H49O9N

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(NC)C2O)C2(C)CC(C)=C(O2)C(C)C(O)C1(C)O
HBA: 10 RingCount: 3
HBD: 5 FractionCSP3: 0.89
AlogP: 1.62 Num_rotatable_bonds: 4
MolWt: 543.7 Num_heavy_atoms: 38
TPSA: 146.94 NumAromaticRings: 0

Sugarmoiety
SD00005

COC1(C)CC(O)OC(C)C1O