Glycoside
...
GD153306

Name:
ophionin

Formula:
C40H55O26

Smiles:
COc1cc(C2Oc3cc(O)cc(O)c3C=C2OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)cc(OC2OC(C[OH2+])C(O)C(O)C2O)c1O

Aglycone:
COc1cc(C2Oc3cc(O)cc(O)c3C=C2O)cc(O)c1O

Sugarmoiety:
CC1OC(OCC2OC(O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O.OC1OC(C[OH2+])C(O)C(O)C1O

Other Identifiers

Properties
HBA: 26 RingCount: 7
HBD: 17 FractionCSP3: 0.65
AlogP: -6.31 Num_rotatable_bonds: 13
MolWt: 951.85 Num_heavy_atoms: 66
TPSA: 418.65 NumAromaticRings: 2

Unique Aglycone
AD45274
Formula: C16H14O7

Smiles:
COc1cc(C2Oc3cc(O)cc(O)c3C=C2O)cc(O)c1O
HBA: 7 RingCount: 3
HBD: 5 FractionCSP3: 0.12
AlogP: 2.55 Num_rotatable_bonds: 2
MolWt: 318.28 Num_heavy_atoms: 23
TPSA: 119.61 NumAromaticRings: 2

Sugarmoiety
SD10101

CC1OC(OCC2OC(O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O.OC1OC(C[OH2+])C(O)C(O)C1O