Glycoside
...
GD130556

Name:
3-[2-amino-2-azaniumyl-1-(3,4,5-trihydroxy-6-{3'-[4-(hydroxyamino)phenyl]-14',15'-dimethoxy-8',17'-dioxaspiro[cyclopentane-1,9'-tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadecane]-2'(7'),3',5',11'(16'),12',14'-hexaeneoxy}oxan-2-yl)ethoxy]-3-oxopropanoate

Formula:
C37H43O14N3

Smiles:
COc1ccc2c(c1OC)OC1c3c(cc(OC4OC(C(OC(=O)CC(=O)O)C(N)N)C(O)C(O)C4O)cc3-c3ccc(NO)cc3)OC3(CCCC3)C21

Aglycone:
COc1ccc2c(c1OC)OC1c3c(cc(O)cc3-c3ccc(NO)cc3)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: 0.46
AlogP: 1.91 Num_rotatable_bonds: 11
MolWt: 753.76 Num_heavy_atoms: 54
TPSA: 263.97 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
AD52909
Formula: C27H27O6N

Smiles:
COc1ccc2c(c1OC)OC1c3c(cc(O)cc3-c3ccc(NO)cc3)OC3(CCCC3)C21
HBA: 7 RingCount: 6
HBD: 3 FractionCSP3: 0.33
AlogP: 5.8 Num_rotatable_bonds: 4
MolWt: 461.51 Num_heavy_atoms: 34
TPSA: 89.41 NumAromaticRings: 3

Sugarmoiety
SD00017

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