Glycoside
...
GD026863

Name:
None

Formula:
C29H34O12N2

Smiles:
CCCNC(=O)O[C@@H]1[C@H](C)O[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H]1OC(=O)NCCC

Aglycone:
CCCNC(=O)O.CCCNC(=O)O.O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12

Sugarmoiety:
CC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 4
HBD: 6 FractionCSP3: 0.41
AlogP: 3.07 Num_rotatable_bonds: 9
MolWt: 602.59 Num_heavy_atoms: 43
TPSA: 206.25 NumAromaticRings: 3

Unique Aglycone
AD00022
Formula: C15H10O6

Smiles:
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
HBA: 6 RingCount: 3
HBD: 4 FractionCSP3: 0.0
AlogP: 2.28 Num_rotatable_bonds: 1
MolWt: 286.24 Num_heavy_atoms: 21
TPSA: 111.13 NumAromaticRings: 3
AD04212
Formula: C4H9O2N

Smiles:
CCCNC(=O)O
HBA: 3 RingCount: 0
HBD: 2 FractionCSP3: 0.75
AlogP: 0.66 Num_rotatable_bonds: 2
MolWt: 103.12 Num_heavy_atoms: 7
TPSA: 49.33 NumAromaticRings: 0

Sugarmoiety
SD00076

CC1OC(O)C(O)C(O)C1O