Glycoside
...
GD004837

Name:
None

Formula:
C50H77O13N

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)(OCC=Cc2cccc3ccccc23)C[C@H](C)C(=O)[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)(OCC=Cc2cccc3ccccc23)CC(C)C(=O)C(C)C(O)C1(C)O

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

Other Identifiers

Properties
HBA: 14 RingCount: 5
HBD: 4 FractionCSP3: 0.72
AlogP: 5.68 Num_rotatable_bonds: 11
MolWt: 900.16 Num_heavy_atoms: 64
TPSA: 182.91 NumAromaticRings: 2

Unique Aglycone
AD04175
Formula: C42H63O10N

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OCC=Cc2cccc3ccccc23)CC(C)C(=O)C(C)C(O)C1(C)O
HBA: 11 RingCount: 4
HBD: 4 FractionCSP3: 0.67
AlogP: 4.75 Num_rotatable_bonds: 8
MolWt: 741.96 Num_heavy_atoms: 53
TPSA: 155.22 NumAromaticRings: 2

Sugarmoiety
SD00005

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