Glycoside
...
GD002421

Name:
None

Formula:
C45H73O13N3

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(=NCc2ccccc2)N3C)[C@@](C)(OC)C[C@H](C)NC(=O)[C@H](C)[C@H](O)[C@]1(C)O

Aglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC3C2OC(=NCc2ccccc2)N3C)C(C)(OC)CC(C)NC(=O)C(C)C(O)C1(C)O

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

Other Identifiers

Properties
HBA: 16 RingCount: 5
HBD: 4 FractionCSP3: 0.8
AlogP: 3.7 Num_rotatable_bonds: 9
MolWt: 864.09 Num_heavy_atoms: 61
TPSA: 196.3 NumAromaticRings: 1

Unique Aglycone
AD02320
Formula: C37H59O10N3

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC3C2OC(=NCc2ccccc2)N3C)C(C)(OC)CC(C)NC(=O)C(C)C(O)C1(C)O
HBA: 13 RingCount: 4
HBD: 4 FractionCSP3: 0.76
AlogP: 2.78 Num_rotatable_bonds: 6
MolWt: 705.89 Num_heavy_atoms: 50
TPSA: 168.61 NumAromaticRings: 1

Sugarmoiety
SD00005

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