Glycoside
...
GD005459

Name:
None

Formula:
C56H88O17N5F

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](OC(=O)CCNCCNc3cc4c(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)(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)CC(N(C)C)C2O)C(C)(OC)CC(C)NC(=O)C(C)C(O)C1(C)O.O=C(O)CCNCCNc1cc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1

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

Other Identifiers

Properties
HBA: 22 RingCount: 6
HBD: 7 FractionCSP3: 0.77
AlogP: 3.87 Num_rotatable_bonds: 18
MolWt: 1122.34 Num_heavy_atoms: 79
TPSA: 284.37 NumAromaticRings: 2

Unique Aglycone
AD00178
Formula: C18H20O5N3F

Smiles:
O=C(O)CCNCCNc1cc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1
HBA: 8 RingCount: 3
HBD: 4 FractionCSP3: 0.39
AlogP: 1.65 Num_rotatable_bonds: 9
MolWt: 377.37 Num_heavy_atoms: 27
TPSA: 120.66 NumAromaticRings: 2
AD00310
Formula: C30H56O10N2

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)NC(=O)C(C)C(O)C1(C)O
HBA: 12 RingCount: 2
HBD: 5 FractionCSP3: 0.93
AlogP: 0.81 Num_rotatable_bonds: 5
MolWt: 604.78 Num_heavy_atoms: 42
TPSA: 167.25 NumAromaticRings: 0

Sugarmoiety
SD00005

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