Glycoside
...
GD017297

Name:
None

Formula:
C41H75O12N3

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(=NC(C)C)N3C)[C@@](C)(O)C[C@H](C)CN(C)[C@H](C)[C@H](O)[C@]1(C)O

Aglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC3C2OC(=NC(C)C)N3C)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O

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

Other Identifiers

Properties
HBA: 15 RingCount: 4
HBD: 4 FractionCSP3: 0.95
AlogP: 3.07 Num_rotatable_bonds: 7
MolWt: 802.06 Num_heavy_atoms: 56
TPSA: 181.44 NumAromaticRings: 0

Unique Aglycone
AD12358
Formula: C33H61O9N3

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC3C2OC(=NC(C)C)N3C)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O
HBA: 12 RingCount: 3
HBD: 4 FractionCSP3: 0.94
AlogP: 2.15 Num_rotatable_bonds: 4
MolWt: 643.86 Num_heavy_atoms: 45
TPSA: 153.75 NumAromaticRings: 0

Sugarmoiety
SD00005

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