Glycoside
...
GD143053

Name:
3-[2,2-diamino-1-(6-{14',15'-dimethoxy-8',17'-dioxaspiro[cyclohexane-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:
C32H40O13N2

Smiles:
COc1ccc2c(c1OC)OC1c3ccc(OC4OC(C(OC(=O)CC(=O)O)C(N)N)C(O)C(O)C4O)cc3OC3(CCCCC3)C21

Aglycone:
COc1ccc2c(c1OC)OC1c3ccc(O)cc3OC3(CCCCC3)C21.NC(N)COC(=O)CC(=O)O

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

Other Identifiers

Properties
HBA: 15 RingCount: 6
HBD: 8 FractionCSP3: 0.56
AlogP: 0.83 Num_rotatable_bonds: 9
MolWt: 660.67 Num_heavy_atoms: 47
TPSA: 231.71 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
AD56931
Formula: C22H24O5

Smiles:
COc1ccc2c(c1OC)OC1c3ccc(O)cc3OC3(CCCCC3)C21
HBA: 5 RingCount: 5
HBD: 1 FractionCSP3: 0.45
AlogP: 4.72 Num_rotatable_bonds: 2
MolWt: 368.43 Num_heavy_atoms: 27
TPSA: 57.15 NumAromaticRings: 2

Sugarmoiety
SD00017

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