Glycoside
...
GD151915

Name:
None

Formula:
C27H30O16N2

Smiles:
O=C(O)CC(=O)OC1C(CO)OC(Oc2cc3c(cc2O)N(CC=C2C=C(C(=O)O)NC(C(=O)O)C2)C(C(=O)O)C3)C(O)C1O

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

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

Other Identifiers

Properties
HBA: 18 RingCount: 4
HBD: 9 FractionCSP3: 0.44
AlogP: -2.25 Num_rotatable_bonds: 11
MolWt: 638.54 Num_heavy_atoms: 45
TPSA: 290.15 NumAromaticRings: 1

Unique Aglycone
AD13454
Formula: C3H4O4

Smiles:
O=C(O)CC(=O)O
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 0.33
AlogP: -0.45 Num_rotatable_bonds: 2
MolWt: 104.06 Num_heavy_atoms: 7
TPSA: 74.6 NumAromaticRings: 0
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
SD00003

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