Glycoside
...
GD124213

Name:
None

Formula:
C31H34O13N2

Smiles:
COc1ccc2c(c1OC)OC1c3c(cc(OC4OC(COC(=O)CC(=O)O)C(O)C(O)C4O)cc3C3=CC=C(N)NC3)OCC21

Aglycone:
COC(=O)CC(=O)O.COc1ccc2c(c1OC)OC1c3c(cc(O)cc3C3=CC=C(N)NC3)OCC21

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

Other Identifiers

Properties
HBA: 15 RingCount: 6
HBD: 7 FractionCSP3: 0.42
AlogP: 0.3 Num_rotatable_bonds: 9
MolWt: 642.61 Num_heavy_atoms: 46
TPSA: 217.72 NumAromaticRings: 2

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
AD50167
Formula: C22H22O5N2

Smiles:
COc1ccc2c(c1OC)OC1c3c(cc(O)cc3C3=CC=C(N)NC3)OCC21
HBA: 7 RingCount: 5
HBD: 4 FractionCSP3: 0.27
AlogP: 2.81 Num_rotatable_bonds: 3
MolWt: 394.43 Num_heavy_atoms: 29
TPSA: 95.2 NumAromaticRings: 2

Sugarmoiety
SD00017

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