Glycoside
...
GD149069

Name:
salvianin

Formula:
C42H43O24

Smiles:
O=C(O)CC(=O)OCC1OC(Oc2cc(O)cc3c2C=C(OC2OC(COC(=O)C=Cc4ccc(O)c(O)c4)C(O)C(O)C2O)C(c2ccc([OH2+])cc2)O3)C(O)C(O)C1OC(=O)CC(=O)O

Aglycone:
COC(=O)C=Cc1ccc(O)c(O)c1.COC(=O)CC(=O)O.O=C(O)CC(=O)O.OC1=Cc2c(O)cc(O)cc2OC1c1ccc([OH2+])cc1

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

Other Identifiers

Properties
HBA: 24 RingCount: 6
HBD: 12 FractionCSP3: 0.36
AlogP: -0.97 Num_rotatable_bonds: 16
MolWt: 931.78 Num_heavy_atoms: 66
TPSA: 384.39 NumAromaticRings: 3

Unique Aglycone
AD03431
Formula: C10H10O4

Smiles:
COC(=O)C=Cc1ccc(O)c(O)c1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.1
AlogP: 1.28 Num_rotatable_bonds: 2
MolWt: 194.19 Num_heavy_atoms: 14
TPSA: 66.76 NumAromaticRings: 1
AD04733
Formula: C4H6O4

Smiles:
COC(=O)CC(=O)O
HBA: 4 RingCount: 0
HBD: 1 FractionCSP3: 0.5
AlogP: -0.37 Num_rotatable_bonds: 2
MolWt: 118.09 Num_heavy_atoms: 8
TPSA: 63.6 NumAromaticRings: 0
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
AD45029
Formula: C15H13O5

Smiles:
OC1=Cc2c(O)cc(O)cc2OC1c1ccc([OH2+])cc1
HBA: 5 RingCount: 3
HBD: 5 FractionCSP3: 0.07
AlogP: 2.57 Num_rotatable_bonds: 1
MolWt: 273.26 Num_heavy_atoms: 20
TPSA: 92.82 NumAromaticRings: 2

Sugarmoiety
SD00041

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