Glycoside
...
GD000770

Name:
None

Formula:
C37H39O7N4F2Cl

Smiles:
CO[C@@H]1[C@H](O)C(Nc2ccc3c(c2)NC(=O)[C@H](C)CCC[C@H](N2CCC(c4c(F)ccc(Cl)c4F)=CC2=O)c2cc-3ccn2)O[C@H](CO)[C@H]1O

Aglycone:
CC1CCCC(N2CCC(c3c(F)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2ccc(N)cc2NC1=O

Sugarmoiety:
COC1C(O)C(O)OC(CO)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 6
HBD: 5 FractionCSP3: 0.42
AlogP: 4.66 Num_rotatable_bonds: 6
MolWt: 713.18 Num_heavy_atoms: 50
TPSA: 153.48 NumAromaticRings: 3

Unique Aglycone
AD00815
Formula: C30H27O2N4F2Cl

Smiles:
CC1CCCC(N2CCC(c3c(F)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2ccc(N)cc2NC1=O
HBA: 6 RingCount: 5
HBD: 3 FractionCSP3: 0.28
AlogP: 6.38 Num_rotatable_bonds: 2
MolWt: 537.01 Num_heavy_atoms: 38
TPSA: 88.32 NumAromaticRings: 3

Sugarmoiety
SD00249

COC1C(O)C(O)OC(CO)C1O