Glycoside
...
GD150140

Name:
None

Formula:
C49H45O20

Smiles:
COc1cc(C2=C(OC3OC(COC(=O)C=Cc4ccc([OH2+])cc4)C(O)C(O)C3O)C3=C4C(=CC(O)=CC4OC(c4c(O)cc(O)c5c4OC(c4ccc(O)c(O)c4)C(O)C5)=C3)O2)cc(OC)c1O

Aglycone:
COC(=O)C=Cc1ccc([OH2+])cc1.COc1cc(C2=C(O)C3=C4C(=CC(O)=CC4OC(c4c(O)cc(O)c5c4OC(c4ccc(O)c(O)c4)C(O)C5)=C3)O2)cc(OC)c1O

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

Other Identifiers

Properties
HBA: 20 RingCount: 9
HBD: 12 FractionCSP3: 0.24
AlogP: 3.56 Num_rotatable_bonds: 11
MolWt: 953.88 Num_heavy_atoms: 69
TPSA: 316.11 NumAromaticRings: 4

Unique Aglycone
AD45655
Formula: C10H11O3

Smiles:
COC(=O)C=Cc1ccc([OH2+])cc1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.1
AlogP: 1.31 Num_rotatable_bonds: 2
MolWt: 179.19 Num_heavy_atoms: 13
TPSA: 49.2 NumAromaticRings: 1
AD59991
Formula: C34H28O13

Smiles:
COc1cc(C2=C(O)C3=C4C(=CC(O)=CC4OC(c4c(O)cc(O)c5c4OC(c4ccc(O)c(O)c4)C(O)C5)=C3)O2)cc(OC)c1O
HBA: 13 RingCount: 7
HBD: 8 FractionCSP3: 0.18
AlogP: 4.6 Num_rotatable_bonds: 5
MolWt: 644.59 Num_heavy_atoms: 47
TPSA: 207.99 NumAromaticRings: 3

Sugarmoiety
SD00017

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