Glycoside
...
GD121766

Name:
3-(2,2-diamino-1-{6-[14',15'-dimethoxy-3'-({1H,5H-pyrrolo[3,4-b]pyrrol-5-yl}methyl)-8',17'-dioxaspiro[cyclopentane-1,9'-tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadecane]-2',4',6',11'(16'),12',14'-hexaeneoxy]-3,4,5-trihydroxyoxan-2-yl}ethoxy)-3-oxopropanoic acid

Formula:
C38H44O13N4

Smiles:
COc1ccc2c(c1OC)OC1c3c(Cn4cc5cc[nH]c5c4)cc(OC4OC(C(OC(=O)CC(=O)O)C(N)N)C(O)C(O)C4O)cc3OC3(CCCC3)C21

Aglycone:
COc1ccc2c(c1OC)OC1c3c(Cn4cc5cc[nH]c5c4)cc(O)cc3OC3(CCCC3)C21.NC(N)COC(=O)CC(=O)O

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 8
HBD: 9 FractionCSP3: 0.47
AlogP: 1.77 Num_rotatable_bonds: 11
MolWt: 764.78 Num_heavy_atoms: 55
TPSA: 252.43 NumAromaticRings: 4

Unique Aglycone
AD45165
Formula: C5H10O4N2

Smiles:
NC(N)COC(=O)CC(=O)O
HBA: 6 RingCount: 0
HBD: 5 FractionCSP3: 0.6
AlogP: -1.75 Num_rotatable_bonds: 4
MolWt: 162.14 Num_heavy_atoms: 11
TPSA: 115.64 NumAromaticRings: 0
AD49030
Formula: C28H28O5N2

Smiles:
COc1ccc2c(c1OC)OC1c3c(Cn4cc5cc[nH]c5c4)cc(O)cc3OC3(CCCC3)C21
HBA: 7 RingCount: 7
HBD: 2 FractionCSP3: 0.36
AlogP: 5.66 Num_rotatable_bonds: 4
MolWt: 472.54 Num_heavy_atoms: 35
TPSA: 77.87 NumAromaticRings: 4

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O