Glycoside
...
GD020276

Name:
None

Formula:
C60H54O16N3F

Smiles:
O=C(CCCCCNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)NCC#Cc1ccc(N2C(=O)[C@H](CC[C@H](O)c3ccc(F)cc3)[C@H]2c2ccc(O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]3O)cc2)cc1

Aglycone:
O=C(CCCCCNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)NCC#Cc1ccc(N2C(=O)C(CCC(O)c3ccc(F)cc3)C2c2ccc(O)cc2)cc1

Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 9
HBD: 9 FractionCSP3: 0.27
AlogP: 6.05 Num_rotatable_bonds: 19
MolWt: 1092.1 Num_heavy_atoms: 80
TPSA: 302.93 NumAromaticRings: 5

Unique Aglycone
AD14029
Formula: C54H46O10N3F

Smiles:
O=C(CCCCCNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)NCC#Cc1ccc(N2C(=O)C(CCC(O)c3ccc(F)cc3)C2c2ccc(O)cc2)cc1
HBA: 13 RingCount: 8
HBD: 6 FractionCSP3: 0.2
AlogP: 8.49 Num_rotatable_bonds: 16
MolWt: 915.97 Num_heavy_atoms: 68
TPSA: 206.71 NumAromaticRings: 5

Sugarmoiety
SD00030

O=C(O)C1OC(O)C(O)C(O)C1O