Glycoside
...
GD130066

Name:
3-{[6-(2-azaniumylethoxy)-3,4-dihydroxy-5-{[6-(hydroxymethyl)-16-[(3-hydroxyphenyl)methyl]-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}oxan-2-yl]methoxy}-3-oxopropanoate

Formula:
C35H37O16N

Smiles:
NCCOC1OC(COC(=O)CC(=O)O)C(O)C(O)C1OOc1cc2c(cc1Cc1cccc(O)c1)OCC1c3cc4c(cc3OC21)OC(CO)O4

Aglycone:
COC(=O)CC(=O)O.OCC1Oc2cc3c(cc2O1)C1COc2cc(Cc4cccc(O)c4)c(OO)cc2C1O3

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

Other Identifiers

Properties
HBA: 17 RingCount: 7
HBD: 7 FractionCSP3: 0.43
AlogP: 0.8 Num_rotatable_bonds: 13
MolWt: 727.67 Num_heavy_atoms: 52
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
AD52693
Formula: C24H20O8

Smiles:
OCC1Oc2cc3c(cc2O1)C1COc2cc(Cc4cccc(O)c4)c(OO)cc2C1O3
HBA: 8 RingCount: 6
HBD: 3 FractionCSP3: 0.25
AlogP: 3.53 Num_rotatable_bonds: 4
MolWt: 436.42 Num_heavy_atoms: 32
TPSA: 106.84 NumAromaticRings: 3

Sugarmoiety
SD04773

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