Glycoside
...
GD143593

Name:
Cocciferin D1

Formula:
C75H56O48

Smiles:
O=CC(OC(=O)c1cc(O)c(O)c(O)c1)C(OC(=O)c1cc(O)c(O)c(O)c1)C(OC(=O)c1cc(O)c(O)c(O)c1Oc1cc2c(c(O)c1O)-c1c(cc(O)c(O)c1O)C(=O)OC1C(COC2=O)OC(OC(=O)c2cc(O)c(O)c(O)c2)C(OC(=O)c2cc(O)c(O)c(O)c2)C1OC(=O)c1cc(O)c(O)c(O)c1)C(O)COC(=O)c1cc(O)c(O)c(O)c1

Aglycone:
O=Cc1cc(O)c(O)c(O)c1.O=Cc1cc(O)c(O)c(O)c1.O=Cc1cc(O)c(O)c(O)c1.O=Cc1cc(O)c(O)c(O)c1Oc1cc2c(c(O)c1O)-c1c(cc(O)c(O)c1O)C(=O)OC1C(COC2=O)OC(OC(=O)c2cc(O)c(O)c(O)c2)C(OC(=O)c2cc(O)c(O)c(O)c2)C1OC(=O)c1cc(O)c(O)c(O)c1

Sugarmoiety:
O=CC(OO)C(OO)C(OO)C(O)COO

Other Identifiers

Properties
HBA: 48 RingCount: 11
HBD: 27 FractionCSP3: 0.15
AlogP: 2.61 Num_rotatable_bonds: 21
MolWt: 1725.23 Num_heavy_atoms: 123
TPSA: 818.44 NumAromaticRings: 9

Unique Aglycone
AD02035
Formula: C7H6O4

Smiles:
O=Cc1cc(O)c(O)c(O)c1
HBA: 4 RingCount: 1
HBD: 3 FractionCSP3: 0.0
AlogP: 0.62 Num_rotatable_bonds: 1
MolWt: 154.12 Num_heavy_atoms: 11
TPSA: 77.76 NumAromaticRings: 1
AD57745
Formula: C48H34O30

Smiles:
O=Cc1cc(O)c(O)c(O)c1Oc1cc2c(c(O)c1O)-c1c(cc(O)c(O)c1O)C(=O)OC1C(COC2=O)OC(OC(=O)c2cc(O)c(O)c(O)c2)C(OC(=O)c2cc(O)c(O)c(O)c2)C1OC(=O)c1cc(O)c(O)c(O)c1
HBA: 30 RingCount: 8
HBD: 17 FractionCSP3: 0.12
AlogP: 2.68 Num_rotatable_bonds: 9
MolWt: 1090.77 Num_heavy_atoms: 78
TPSA: 510.94 NumAromaticRings: 6

Sugarmoiety
SD04294

O=CC(OO)C(OO)C(OO)C(O)COO