Glycoside
...
GD028901

Name:
None

Formula:
C43H77O13N3

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]3[C@H]2OC(=NCCCN(C)C)N3C)[C@@](C)(OC)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)CC3C2OC(=NCCCN(C)C)N3C)C(C)(OC)CC(C)C(=O)C(C)C(O)C1(C)O

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

Other Identifiers

Properties
HBA: 16 RingCount: 4
HBD: 3 FractionCSP3: 0.93
AlogP: 3.16 Num_rotatable_bonds: 11
MolWt: 844.1 Num_heavy_atoms: 59
TPSA: 187.51 NumAromaticRings: 0

Unique Aglycone
AD18840
Formula: C35H63O10N3

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC3C2OC(=NCCCN(C)C)N3C)C(C)(OC)CC(C)C(=O)C(C)C(O)C1(C)O
HBA: 13 RingCount: 3
HBD: 3 FractionCSP3: 0.91
AlogP: 2.23 Num_rotatable_bonds: 8
MolWt: 685.9 Num_heavy_atoms: 48
TPSA: 159.82 NumAromaticRings: 0

Sugarmoiety
SD00005

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