Glycoside
...
GD122548

Name:
None

Formula:
C27H31O16N2

Smiles:
O=C(O)CC(=O)OCC1OC(Oc2cc3c(cc2O)N(CC=C2C=C(C(=O)O)[NH2+]C(C(=O)O)C2)C(C(=O)O)C3)C(O)C(O)C1O

Aglycone:
COC(=O)CC(=O)O.O=C(O)C1=CC(=CCN2c3cc(O)c(O)cc3CC2C(=O)O)CC(C(=O)O)[NH2+]1

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

Other Identifiers

Properties
HBA: 18 RingCount: 4
HBD: 10 FractionCSP3: 0.44
AlogP: -3.27 Num_rotatable_bonds: 11
MolWt: 639.54 Num_heavy_atoms: 45
TPSA: 294.73 NumAromaticRings: 1

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
AD49394
Formula: C18H19O8N2

Smiles:
O=C(O)C1=CC(=CCN2c3cc(O)c(O)cc3CC2C(=O)O)CC(C(=O)O)[NH2+]1
HBA: 10 RingCount: 3
HBD: 7 FractionCSP3: 0.28
AlogP: -0.77 Num_rotatable_bonds: 5
MolWt: 391.36 Num_heavy_atoms: 28
TPSA: 172.21 NumAromaticRings: 1

Sugarmoiety
SD00017

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