Glycoside
...
GD005281

Name:
None

Formula:
C41H72O12N2

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@@](C)(O)C[C@H](C)[C@H](n2cccc2)[C@H](C)[C@H](O)[C@]1(C)O

Aglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(n2cccc2)C(C)C(O)C1(C)O

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

Other Identifiers

Properties
HBA: 14 RingCount: 4
HBD: 5 FractionCSP3: 0.88
AlogP: 3.26 Num_rotatable_bonds: 8
MolWt: 785.03 Num_heavy_atoms: 55
TPSA: 181.77 NumAromaticRings: 1

Unique Aglycone
AD04507
Formula: C33H58O9N2

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(n2cccc2)C(C)C(O)C1(C)O
HBA: 11 RingCount: 3
HBD: 5 FractionCSP3: 0.85
AlogP: 2.33 Num_rotatable_bonds: 5
MolWt: 626.83 Num_heavy_atoms: 44
TPSA: 154.08 NumAromaticRings: 1

Sugarmoiety
SD00005

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