Glycoside
...
GD132620

Name:
lampranthin ii

Formula:
C34H36O16N2

Smiles:
COc1cc(C=CC(=O)OCC2OC(Oc3cc4c(cc3O)N(CC=C3C=C(C(=O)O)NC(C(=O)O)C3)C(C(=O)O)C4)C(O)C(O)C2O)ccc1O

Aglycone:
COC(=O)C=Cc1ccc(O)c(OC)c1.O=C(O)C1=CC(=CCN2c3cc(O)c(O)cc3CC2C(=O)O)CC(C(=O)O)N1

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

Other Identifiers

Properties
HBA: 18 RingCount: 5
HBD: 9 FractionCSP3: 0.35
AlogP: -0.29 Num_rotatable_bonds: 12
MolWt: 728.66 Num_heavy_atoms: 52
TPSA: 282.31 NumAromaticRings: 2

Unique Aglycone
AD00132
Formula: C11H12O4

Smiles:
COC(=O)C=Cc1ccc(O)c(OC)c1
HBA: 4 RingCount: 1
HBD: 1 FractionCSP3: 0.18
AlogP: 1.59 Num_rotatable_bonds: 3
MolWt: 208.21 Num_heavy_atoms: 15
TPSA: 55.76 NumAromaticRings: 1
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

Sugarmoiety
SD00017

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