Glycoside
...
GD024343

Name:
None

Formula:
C61H102O15N3F

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](N(C)C)[C@H]2O)[C@@](C)(O)C[C@H](C)CN(CCCNC(=O)[C@@H]2[C@H](C)C[C@@H]3[C@@H]4CCC5=CC(=O)C=C[C@@]5(C)[C@@]4(F)[C@H](O)C[C@]32C)[C@H](C)[C@H](O)[C@]1(C)O

Aglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCCNC(=O)C2C(C)CC3C4CCC5=CC(=O)C=CC5(C)C4(F)C(O)CC32C)C(C)C(O)C1(C)O

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

Other Identifiers

Properties
HBA: 18 RingCount: 7
HBD: 7 FractionCSP3: 0.89
AlogP: 5.01 Num_rotatable_bonds: 12
MolWt: 1136.49 Num_heavy_atoms: 80
TPSA: 246.48 NumAromaticRings: 0

Unique Aglycone
AD16263
Formula: C53H88O12N3F

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCCNC(=O)C2C(C)CC3C4CCC5=CC(=O)C=CC5(C)C4(F)C(O)CC32C)C(C)C(O)C1(C)O
HBA: 15 RingCount: 6
HBD: 7 FractionCSP3: 0.87
AlogP: 4.09 Num_rotatable_bonds: 9
MolWt: 978.29 Num_heavy_atoms: 69
TPSA: 218.79 NumAromaticRings: 0

Sugarmoiety
SD00005

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