Glycoside
...
GD131017

Name:
3-{[6-(2-azaniumylethoxy)-5-({16-[(3-ethyl-5-hydroxyphenyl)methyl]-6-(hydroxymethyl)-9-(2-methylpropyl)-5,7,11,19-tetraoxapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-2(10),3,8,13(18),14,16-hexaen-15-yl}peroxy)-3,4-dihydroxyoxan-2-yl]methoxy}-3-oxopropanoate

Formula:
C41H49O16N

Smiles:
CCc1cc(O)cc(Cc2cc3c(cc2OOC2C(OCCN)OC(COC(=O)CC(=O)O)C(O)C2O)C2Oc4c(cc5c(c4CC(C)C)OC(CO)O5)C2CO3)c1

Aglycone:
CCc1cc(O)cc(Cc2cc3c(cc2OO)C2Oc4c(cc5c(c4CC(C)C)OC(CO)O5)C2CO3)c1.COC(=O)CC(=O)O

Sugarmoiety:
NCCOC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 7
HBD: 7 FractionCSP3: 0.51
AlogP: 2.56 Num_rotatable_bonds: 16
MolWt: 811.83 Num_heavy_atoms: 58
TPSA: 244.38 NumAromaticRings: 3

Unique Aglycone
AD04733
Formula: C4H6O4

Smiles:
COC(=O)CC(=O)O
HBA: 4 RingCount: 0
HBD: 1 FractionCSP3: 0.5
AlogP: -0.37 Num_rotatable_bonds: 2
MolWt: 118.09 Num_heavy_atoms: 8
TPSA: 63.6 NumAromaticRings: 0
AD53093
Formula: C30H32O8

Smiles:
CCc1cc(O)cc(Cc2cc3c(cc2OO)C2Oc4c(cc5c(c4CC(C)C)OC(CO)O5)C2CO3)c1
HBA: 8 RingCount: 6
HBD: 3 FractionCSP3: 0.4
AlogP: 5.3 Num_rotatable_bonds: 7
MolWt: 520.58 Num_heavy_atoms: 38
TPSA: 106.84 NumAromaticRings: 3

Sugarmoiety
SD04773

NCCOC1OC(O)C(O)C(O)C1O