Glycoside
...
GD108140

Name:
None

Formula:
C30H28O15N2

Smiles:
C=C(Oc1cc(C(=O)OC[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@@H](OC(C)=O)[C@@H]2OC(=O)c2c(C)cc(O)cc2OC)ccc1O)C(=O)O

Aglycone:
C=C(Oc1cc(C(=O)OC)ccc1O)C(=O)O.COc1cc(O)cc(C)c1C(=O)O.O=c1cc[nH]c(=O)[nH]1

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 4
HBD: 4 FractionCSP3: 0.27
AlogP: 1.15 Num_rotatable_bonds: 11
MolWt: 656.55 Num_heavy_atoms: 47
TPSA: 239.21 NumAromaticRings: 3

Unique Aglycone
AD00106
Formula: C4H4O2N2

Smiles:
O=c1cc[nH]c(=O)[nH]1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: -0.94 Num_rotatable_bonds: 0
MolWt: 112.09 Num_heavy_atoms: 8
TPSA: 65.72 NumAromaticRings: 1
AD08265
Formula: C9H10O4

Smiles:
COc1cc(O)cc(C)c1C(=O)O
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.22
AlogP: 1.41 Num_rotatable_bonds: 2
MolWt: 182.17 Num_heavy_atoms: 13
TPSA: 66.76 NumAromaticRings: 1
AD44409
Formula: C11H10O6

Smiles:
C=C(Oc1cc(C(=O)OC)ccc1O)C(=O)O
HBA: 6 RingCount: 1
HBD: 2 FractionCSP3: 0.09
AlogP: 1.16 Num_rotatable_bonds: 4
MolWt: 238.19 Num_heavy_atoms: 17
TPSA: 93.06 NumAromaticRings: 1

Sugarmoiety
SD00772

CC(=O)OC1C(O)OC(O)C1O