Glycoside
...
GD119994

Name:
None

Formula:
C28H30O16N2

Smiles:
O=C(O)C1=CC(=CCN2c3cc(O)c(OC4OC(CO)C(OC(=O)C5COC5=O)C(O)C4O)cc3CC2C(=O)O)CC(C(=O)O)N1

Aglycone:
O=C(O)C1=CC(=CCN2c3cc(O)c(O)cc3CC2C(=O)O)CC(C(=O)O)N1.O=C(O)C1COC1=O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 5
HBD: 8 FractionCSP3: 0.46
AlogP: -2.55 Num_rotatable_bonds: 10
MolWt: 650.55 Num_heavy_atoms: 46
TPSA: 279.15 NumAromaticRings: 1

Unique Aglycone
AD46344
Formula: C18H18O8N2

Smiles:
O=C(O)C1=CC(=CCN2c3cc(O)c(O)cc3CC2C(=O)O)CC(C(=O)O)N1
HBA: 10 RingCount: 3
HBD: 6 FractionCSP3: 0.28
AlogP: 0.25 Num_rotatable_bonds: 5
MolWt: 390.35 Num_heavy_atoms: 28
TPSA: 167.63 NumAromaticRings: 1
AD48156
Formula: C4H4O4

Smiles:
O=C(O)C1COC1=O
HBA: 4 RingCount: 1
HBD: 1 FractionCSP3: 0.5
AlogP: -0.76 Num_rotatable_bonds: 1
MolWt: 116.07 Num_heavy_atoms: 8
TPSA: 63.6 NumAromaticRings: 0

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O