Glycoside
...
GD145952

Name:
19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-19-yl 2-{2-[({4-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]phenyl}carbamothioyl)amino]-3-(1H-imidazol-4-yl)propanamido}-3-methylbutanoate

Formula:
C45H49O11N7S

Smiles:
CCC1(OC(=O)C(N=C(O)C(Cc2cnc[nH]2)N=C(S)Nc2ccc(OC3OC(C)C(O)C(OC)C3O)cc2)C(C)C)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1

Aglycone:
CCC1(OC(=O)C(N=C(O)C(Cc2cnc[nH]2)N=C(S)Nc2ccc(O)cc2)C(C)C)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1

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

Other Identifiers

Properties
HBA: 18 RingCount: 8
HBD: 5 FractionCSP3: 0.4
AlogP: 4.2 Num_rotatable_bonds: 13
MolWt: 895.99 Num_heavy_atoms: 64
TPSA: 241.3 NumAromaticRings: 5

Unique Aglycone
AD58556
Formula: C38H37O7N7S

Smiles:
CCC1(OC(=O)C(N=C(O)C(Cc2cnc[nH]2)N=C(S)Nc2ccc(O)cc2)C(C)C)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1
HBA: 14 RingCount: 7
HBD: 4 FractionCSP3: 0.29
AlogP: 5.05 Num_rotatable_bonds: 10
MolWt: 735.82 Num_heavy_atoms: 53
TPSA: 193.38 NumAromaticRings: 5

Sugarmoiety
SD00011

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