Glycoside
...
GD150297

Name:
3-oxo-3-[(3,4,6-trihydroxy-5-{[6-(hydroxymethyl)-5,7,11,19-tetraoxapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-2(10),3,8,13,15,17-hexaen-15-yl]peroxy}oxan-2-yl)methoxy]propanoic acid

Formula:
C26H26O15

Smiles:
O=C(O)CC(=O)OCC1OC(O)C(OOc2ccc3c(c2)C2Oc4cc5c(cc4C2CO3)OC(CO)O5)C(O)C1O

Aglycone:
COC(=O)CC(=O)O.OCC1Oc2cc3c(cc2O1)C1COc2ccc(OO)cc2C1O3

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

Other Identifiers

Properties
HBA: 15 RingCount: 6
HBD: 5 FractionCSP3: 0.46
AlogP: -0.48 Num_rotatable_bonds: 8
MolWt: 578.48 Num_heavy_atoms: 41
TPSA: 209.13 NumAromaticRings: 2

Unique Aglycone
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
AD46050
Formula: C17H14O7

Smiles:
OCC1Oc2cc3c(cc2O1)C1COc2ccc(OO)cc2C1O3
HBA: 7 RingCount: 5
HBD: 2 FractionCSP3: 0.29
AlogP: 2.24 Num_rotatable_bonds: 2
MolWt: 330.29 Num_heavy_atoms: 24
TPSA: 86.61 NumAromaticRings: 2

Sugarmoiety
SD00017

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