Glycoside
...
GD009272

Name:
None

Formula:
C52H69O18N13F2

Smiles:
CO[C@@H]1[C@H](OC(C2C(=O)N(c3ccc(F)cc3)C(=O)N2CCCNC(=O)[C@H](NC(=O)[C@H](NC(=O)N[C@H](C(=O)O)C(C)C)[C@@H]2CCN=C(N)N2)[C@H](O)C(C)C)[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)O[C@H](CNC(=O)Nc2ccc(F)cc2)[C@H]1O

Aglycone:
CC(C)C(NC(=O)NC(C(=O)NC(C(=O)NCCCN1C(=O)N(c2ccc(F)cc2)C(=O)C1CO)C(O)C(C)C)C1CCN=C(N)N1)C(=O)O.CNC(=O)Nc1ccc(F)cc1.O=c1cc[nH]c(=O)[nH]1

Sugarmoiety:
COC1C(OOC2OC(O)C(O)C2O)OC(O)C1O

Other Identifiers

Properties
HBA: 31 RingCount: 7
HBD: 15 FractionCSP3: 0.54
AlogP: -2.96 Num_rotatable_bonds: 24
MolWt: 1202.19 Num_heavy_atoms: 85
TPSA: 441.49 NumAromaticRings: 3

Unique Aglycone
AD00106
Formula: C4H4O2N2

Smiles:
O=c1cc[nH]c(=O)[nH]1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: -0.94 Num_rotatable_bonds: 0
MolWt: 112.09 Num_heavy_atoms: 8
TPSA: 65.72 NumAromaticRings: 1
AD07286
Formula: C31H46O9N9F

Smiles:
CC(C)C(NC(=O)NC(C(=O)NC(C(=O)NCCCN1C(=O)N(c2ccc(F)cc2)C(=O)C1CO)C(O)C(C)C)C1CCN=C(N)N1)C(=O)O
HBA: 18 RingCount: 3
HBD: 10 FractionCSP3: 0.58
AlogP: -1.58 Num_rotatable_bonds: 16
MolWt: 707.76 Num_heavy_atoms: 50
TPSA: 268.12 NumAromaticRings: 1
AD07287
Formula: C8H9ON2F

Smiles:
CNC(=O)Nc1ccc(F)cc1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.12
AlogP: 1.58 Num_rotatable_bonds: 1
MolWt: 168.17 Num_heavy_atoms: 12
TPSA: 41.13 NumAromaticRings: 1

Sugarmoiety
SD00314

COC1C(OOC2OC(O)C(O)C2O)OC(O)C1O