Glycoside
...
GD018223

Name:
balanophotannin g

Formula:
C29H26O19

Smiles:
O=C(O)C[C@@]12Oc3c(O)c(O)cc(C(=O)OC[C@@H]4O[C@H](OC(=O)C=Cc5ccc(O)c(O)c5)[C@H](O)[C@H](O)[C@H]4O)c3[C@H]1[C@H](C(=O)O)OC2=O

Aglycone:
COC(=O)c1cc(O)c(O)c2c1C1C(C(=O)O)OC(=O)C1(CC(=O)O)O2.O=C(O)C=Cc1ccc(O)c(O)c1

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

Other Identifiers

Properties
HBA: 19 RingCount: 5
HBD: 9 FractionCSP3: 0.34
AlogP: -1.57 Num_rotatable_bonds: 9
MolWt: 678.51 Num_heavy_atoms: 48
TPSA: 313.57 NumAromaticRings: 2

Unique Aglycone
AD00127
Formula: C9H8O4

Smiles:
O=C(O)C=Cc1ccc(O)c(O)c1
HBA: 4 RingCount: 1
HBD: 3 FractionCSP3: 0.0
AlogP: 1.2 Num_rotatable_bonds: 2
MolWt: 180.16 Num_heavy_atoms: 13
TPSA: 77.76 NumAromaticRings: 1
AD12896
Formula: C15H12O11

Smiles:
COC(=O)c1cc(O)c(O)c2c1C1C(C(=O)O)OC(=O)C1(CC(=O)O)O2
HBA: 11 RingCount: 3
HBD: 4 FractionCSP3: 0.33
AlogP: -0.42 Num_rotatable_bonds: 4
MolWt: 368.25 Num_heavy_atoms: 26
TPSA: 176.89 NumAromaticRings: 1

Sugarmoiety
SD00017

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