Glycoside
...
GD008123

Name:
None

Formula:
C58H90O17N5F

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](OC(=O)CCN(C)CCNc3cc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)[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(C)[C@H](C)[C@@H]2OC(=O)O[C@]12C

Aglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(C)C(C)C2OC(=O)OC12C.CN(CCNc1cc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1)CCC(=O)O

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

Other Identifiers

Properties
HBA: 22 RingCount: 7
HBD: 4 FractionCSP3: 0.78
AlogP: 5.55 Num_rotatable_bonds: 17
MolWt: 1148.37 Num_heavy_atoms: 81
TPSA: 255.79 NumAromaticRings: 2

Unique Aglycone
AD00823
Formula: C31H56O10N2

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(C)C(C)C2OC(=O)OC12C
HBA: 12 RingCount: 3
HBD: 3 FractionCSP3: 0.94
AlogP: 2.16 Num_rotatable_bonds: 4
MolWt: 616.79 Num_heavy_atoms: 43
TPSA: 147.46 NumAromaticRings: 0
AD01114
Formula: C19H22O5N3F

Smiles:
CN(CCNc1cc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1)CCC(=O)O
HBA: 8 RingCount: 3
HBD: 3 FractionCSP3: 0.42
AlogP: 1.99 Num_rotatable_bonds: 9
MolWt: 391.4 Num_heavy_atoms: 28
TPSA: 111.87 NumAromaticRings: 2

Sugarmoiety
SD00005

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