Glycoside
...
GD035725

Name:
None

Formula:
C43H43O11N4F2Cl

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

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

Sugarmoiety:
COC(=O)C1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 15 RingCount: 6
HBD: 2 FractionCSP3: 0.4
AlogP: 5.9 Num_rotatable_bonds: 8
MolWt: 853.27 Num_heavy_atoms: 60
TPSA: 188.76 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
SD00268

COC(=O)C1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O