Glycoside
...
GD147431

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'-hexaen-4-oneoxy}-3,4,5-trihydroxyoxan-2-yl)ethoxy]-3-oxopropanoic acid

Formula:
C32H38O14N2

Smiles:
COc1ccc2c(c1OC)OC1c3ccc(OC4OC(C(OC(=O)CC(=O)O)C(N)N)C(O)C(O)C4O)cc3OC3(CCC(=O)CC3)C21

Aglycone:
COc1ccc2c(c1OC)OC1c3ccc(O)cc3OC3(CCC(=O)CC3)C21.NC(N)COC(=O)CC(=O)O

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

Other Identifiers

Properties
HBA: 16 RingCount: 6
HBD: 8 FractionCSP3: 0.53
AlogP: 0.01 Num_rotatable_bonds: 9
MolWt: 674.66 Num_heavy_atoms: 48
TPSA: 248.78 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
AD56501
Formula: C22H22O6

Smiles:
COc1ccc2c(c1OC)OC1c3ccc(O)cc3OC3(CCC(=O)CC3)C21
HBA: 6 RingCount: 5
HBD: 1 FractionCSP3: 0.41
AlogP: 3.9 Num_rotatable_bonds: 2
MolWt: 382.41 Num_heavy_atoms: 28
TPSA: 74.22 NumAromaticRings: 2

Sugarmoiety
SD00017

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