Glycoside
...
GD139705

Name:
3-(2-amino-1-{6-[3'-(6-aminopyridin-3-yl)-14',15'-dimethoxy-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}-2-azaniumylethoxy)-3-oxopropanoate

Formula:
C36H42O13N4

Smiles:
COc1ccc2c(c1OC)OC1c3c(cc(OC4OC(C(OC(=O)CC(=O)O)C(N)N)C(O)C(O)C4O)cc3-c3ccc(=N)[nH]c3)OC3(CCCC3)C21

Aglycone:
COc1ccc2c(c1OC)OC1c3c(cc(O)cc3-c3ccc(=N)[nH]c3)OC3(CCCC3)C21.NC(N)COC(=O)CC(=O)O

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

Other Identifiers

Properties
HBA: 17 RingCount: 7
HBD: 10 FractionCSP3: 0.47
AlogP: 0.92 Num_rotatable_bonds: 10
MolWt: 738.75 Num_heavy_atoms: 53
TPSA: 271.35 NumAromaticRings: 3

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
AD56339
Formula: C26H26O5N2

Smiles:
COc1ccc2c(c1OC)OC1c3c(cc(O)cc3-c3ccc(=N)[nH]c3)OC3(CCCC3)C21
HBA: 7 RingCount: 6
HBD: 3 FractionCSP3: 0.35
AlogP: 4.81 Num_rotatable_bonds: 3
MolWt: 446.5 Num_heavy_atoms: 33
TPSA: 96.79 NumAromaticRings: 3

Sugarmoiety
SD00017

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