Glycoside
...
GD014048

Name:
None

Formula:
C45H77O14N

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](N(C)C)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)[C@H](OC(=O)C(C)C)[C@]1(C)OC(=O)C(C)C

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

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

Other Identifiers

Properties
HBA: 15 RingCount: 4
HBD: 2 FractionCSP3: 0.89
AlogP: 5.31 Num_rotatable_bonds: 11
MolWt: 856.1 Num_heavy_atoms: 60
TPSA: 177.98 NumAromaticRings: 0

Unique Aglycone
AD10400
Formula: C37H63O11N

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C2(C)CC(C)=C(O2)C(C)C(OC(=O)C(C)C)C1(C)OC(=O)C(C)C
HBA: 12 RingCount: 3
HBD: 2 FractionCSP3: 0.86
AlogP: 4.38 Num_rotatable_bonds: 8
MolWt: 697.91 Num_heavy_atoms: 49
TPSA: 150.29 NumAromaticRings: 0

Sugarmoiety
SD00005

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