Glycoside
...
GD126963

Name:
3-(2,2-diamino-1-{3,4,5-trihydroxy-6-[15'-(2-hydroxyethoxy)-14'-methoxy-8',17'-dioxaspiro[cyclopentane-1,9'-tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadecane]-2',4',6',11'(16'),12',14'-hexaeneoxy]oxan-2-yl}ethoxy)-3-oxopropanoic acid

Formula:
C32H40O14N2

Smiles:
COc1ccc2c(c1OCCO)OC1c3ccc(OC4OC(C(OC(=O)CC(=O)O)C(N)N)C(O)C(O)C4O)cc3OC3(CCCC3)C21

Aglycone:
COc1ccc2c(c1OCCO)OC1c3ccc(O)cc3OC3(CCCC3)C21.NC(N)COC(=O)CC(=O)O

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

Other Identifiers

Properties
HBA: 16 RingCount: 6
HBD: 9 FractionCSP3: 0.56
AlogP: -0.19 Num_rotatable_bonds: 11
MolWt: 676.67 Num_heavy_atoms: 48
TPSA: 251.94 NumAromaticRings: 2

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
AD51396
Formula: C22H24O6

Smiles:
COc1ccc2c(c1OCCO)OC1c3ccc(O)cc3OC3(CCCC3)C21
HBA: 6 RingCount: 5
HBD: 2 FractionCSP3: 0.45
AlogP: 3.69 Num_rotatable_bonds: 4
MolWt: 384.43 Num_heavy_atoms: 28
TPSA: 77.38 NumAromaticRings: 2

Sugarmoiety
SD00017

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