Glycoside
...
GD015485

Name:
AMAROGENTIN

Formula:
C29H32O13

Smiles:
C=C[C@@H]1[C@H](OC[C@@H]2O[C@H](OC(=O)c3cc(O)c(-c4cccc(O)c4)c(O)c3)[C@H](O)[C@H](O)[C@H]2O)OCC2C(=O)OCC[C@H]21

Aglycone:
C=CC1C(OC)OCC2C(=O)OCCC21.O=C(O)c1cc(O)c(-c2cccc(O)c2)c(O)c1

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

Other Identifiers

Properties
HBA: 13 RingCount: 5
HBD: 6 FractionCSP3: 0.45
AlogP: 0.79 Num_rotatable_bonds: 7
MolWt: 588.56 Num_heavy_atoms: 42
TPSA: 201.67 NumAromaticRings: 2

Unique Aglycone
AD11245
Formula: C11H16O4

Smiles:
C=CC1C(OC)OCC2C(=O)OCCC21
HBA: 4 RingCount: 2
HBD: 0 FractionCSP3: 0.73
AlogP: 0.97 Num_rotatable_bonds: 2
MolWt: 212.24 Num_heavy_atoms: 15
TPSA: 44.76 NumAromaticRings: 0
AD11246
Formula: C13H10O5

Smiles:
O=C(O)c1cc(O)c(-c2cccc(O)c2)c(O)c1
HBA: 5 RingCount: 2
HBD: 4 FractionCSP3: 0.0
AlogP: 2.17 Num_rotatable_bonds: 2
MolWt: 246.22 Num_heavy_atoms: 18
TPSA: 97.99 NumAromaticRings: 2

Sugarmoiety
SD00017

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