Glycoside
...
GD014195

Name:
None

Formula:
C56H88O15N5F

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](OC(=O)CCN3CCN(c4cc5c(cc4F)c(=O)ccn5C4CC4)CC3)[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)NC(=O)[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)NC(=O)C(C)C(O)C1(C)O.O=C(O)CCN1CCN(c2cc3c(cc2F)c(=O)ccn3C2CC2)CC1

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

Other Identifiers

Properties
HBA: 20 RingCount: 7
HBD: 5 FractionCSP3: 0.79
AlogP: 3.64 Num_rotatable_bonds: 13
MolWt: 1090.34 Num_heavy_atoms: 77
TPSA: 240.49 NumAromaticRings: 2

Unique Aglycone
AD00177
Formula: C29H54O10N2

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)NC(=O)C(C)C(O)C1(C)O
HBA: 12 RingCount: 2
HBD: 6 FractionCSP3: 0.93
AlogP: 0.16 Num_rotatable_bonds: 4
MolWt: 590.76 Num_heavy_atoms: 41
TPSA: 178.25 NumAromaticRings: 0
AD08958
Formula: C19H22O3N3F

Smiles:
O=C(O)CCN1CCN(c2cc3c(cc2F)c(=O)ccn3C2CC2)CC1
HBA: 6 RingCount: 4
HBD: 1 FractionCSP3: 0.47
AlogP: 2.07 Num_rotatable_bonds: 5
MolWt: 359.4 Num_heavy_atoms: 26
TPSA: 65.78 NumAromaticRings: 2

Sugarmoiety
SD00005

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