Glycoside
...
GD131186

Name:
None

Formula:
C40H41O13N2

Smiles:
COc1ccc2c(c1OC)OC1c3c(CN4C=C5[NH+]=CC=C5C4)cc(OC4OC(COC(=O)CC(=O)O)C(O)C(O)C4O)cc3OC(Cc3ccccc3)C21

Aglycone:
COC(=O)CC(=O)O.COc1ccc2c(c1OC)OC1c3c(CN4C=C5[NH+]=CC=C5C4)cc(O)cc3OC(Cc3ccccc3)C21

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

Other Identifiers

Properties
HBA: 15 RingCount: 8
HBD: 5 FractionCSP3: 0.38
AlogP: 0.88 Num_rotatable_bonds: 12
MolWt: 757.77 Num_heavy_atoms: 55
TPSA: 196.88 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
AD53157
Formula: C31H29O5N2

Smiles:
COc1ccc2c(c1OC)OC1c3c(CN4C=C5[NH+]=CC=C5C4)cc(O)cc3OC(Cc3ccccc3)C21
HBA: 7 RingCount: 7
HBD: 2 FractionCSP3: 0.26
AlogP: 3.38 Num_rotatable_bonds: 6
MolWt: 509.58 Num_heavy_atoms: 38
TPSA: 74.36 NumAromaticRings: 3

Sugarmoiety
SD00017

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