Glycoside
...
GD008566

Name:
None

Formula:
C48H77O12N3

Smiles:
CO[C@@]1(C)C[C@H](C)[C@H](O)[C@H](C)CN(C)C[C@H](COc2ccc(-c3ccccn3)cc2)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(COc2ccc(-c3ccccn3)cc2)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: 15 RingCount: 5
HBD: 3 FractionCSP3: 0.75
AlogP: 4.78 Num_rotatable_bonds: 11
MolWt: 888.15 Num_heavy_atoms: 63
TPSA: 170.97 NumAromaticRings: 2

Unique Aglycone
AD06827
Formula: C40H63O9N3

Smiles:
COC1(C)CC(C)C(O)C(C)CN(C)CC(COc2ccc(-c3ccccn3)cc2)OC(=O)C(C)C(O)C(C)C1OC1OC(C)CC(N(C)C)C1O
HBA: 12 RingCount: 4
HBD: 3 FractionCSP3: 0.7
AlogP: 3.86 Num_rotatable_bonds: 8
MolWt: 729.96 Num_heavy_atoms: 52
TPSA: 143.28 NumAromaticRings: 2

Sugarmoiety
SD00005

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