Glycoside
...
GD010994

Name:
None

Formula:
C45H75O11N5

Smiles:
CO[C@@]1(C)C[C@H](C)[C@H](O)[C@H](C)CN(C)C[C@H](Cn2cc(-c3ccccc3)nn2)OC(=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]1O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1O

Aglycone:
COC1(C)CC(C)C(O)C(C)CN(C)CC(Cn2cc(-c3ccccc3)nn2)OC(=O)C(C)C(O)C(C)C1OC1OC(C)CC(N(C)C)C1O

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

Other Identifiers

Properties
HBA: 16 RingCount: 5
HBD: 3 FractionCSP3: 0.8
AlogP: 3.6 Num_rotatable_bonds: 10
MolWt: 862.12 Num_heavy_atoms: 61
TPSA: 179.56 NumAromaticRings: 2

Unique Aglycone
AD08430
Formula: C37H61O8N5

Smiles:
COC1(C)CC(C)C(O)C(C)CN(C)CC(Cn2cc(-c3ccccc3)nn2)OC(=O)C(C)C(O)C(C)C1OC1OC(C)CC(N(C)C)C1O
HBA: 13 RingCount: 4
HBD: 3 FractionCSP3: 0.76
AlogP: 2.67 Num_rotatable_bonds: 7
MolWt: 703.92 Num_heavy_atoms: 50
TPSA: 151.87 NumAromaticRings: 2

Sugarmoiety
SD00005

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