Glycoside
...
GD136690

Name:
None

Formula:
C28H32O14

Smiles:
CC1CC(OC2C(Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c3)OC(CO)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC1CC(O)C(O)C(O)C1O.O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12

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

Other Identifiers

Properties
HBA: 14 RingCount: 5
HBD: 9 FractionCSP3: 0.46
AlogP: -0.73 Num_rotatable_bonds: 6
MolWt: 592.55 Num_heavy_atoms: 42
TPSA: 239.97 NumAromaticRings: 3

Unique Aglycone
AD00567
Formula: C15H10O6

Smiles:
O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12
HBA: 6 RingCount: 3
HBD: 4 FractionCSP3: 0.0
AlogP: 2.28 Num_rotatable_bonds: 1
MolWt: 286.24 Num_heavy_atoms: 21
TPSA: 111.13 NumAromaticRings: 3
AD46185
Formula: C7H14O4

Smiles:
CC1CC(O)C(O)C(O)C1O
HBA: 4 RingCount: 1
HBD: 4 FractionCSP3: 1.0
AlogP: -1.53 Num_rotatable_bonds: 0
MolWt: 162.19 Num_heavy_atoms: 11
TPSA: 80.92 NumAromaticRings: 0

Sugarmoiety
SD00003

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