Glycoside
...
GD158317

Name:
marinoid d

Formula:
C25H30O14

Smiles:
COc1cc(C(=O)OC2C(OC3OC=C(C(=O)O)C4CC=C(CO)C34)OC(CO)C(O)C2O)cc(OC)c1O

Aglycone:
COc1cc(C(=O)O)cc(OC)c1O.O=C(O)C1=COC(O)C2C(CO)=CCC12

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 4
HBD: 6 FractionCSP3: 0.52
AlogP: -0.73 Num_rotatable_bonds: 9
MolWt: 554.5 Num_heavy_atoms: 39
TPSA: 210.9 NumAromaticRings: 1

Unique Aglycone
AD05149
Formula: C10H12O5

Smiles:
O=C(O)C1=COC(O)C2C(CO)=CCC12
HBA: 5 RingCount: 2
HBD: 3 FractionCSP3: 0.5
AlogP: -0.14 Num_rotatable_bonds: 2
MolWt: 212.2 Num_heavy_atoms: 15
TPSA: 86.99 NumAromaticRings: 0
AD16068
Formula: C9H10O5

Smiles:
COc1cc(C(=O)O)cc(OC)c1O
HBA: 5 RingCount: 1
HBD: 2 FractionCSP3: 0.22
AlogP: 1.11 Num_rotatable_bonds: 3
MolWt: 198.17 Num_heavy_atoms: 14
TPSA: 75.99 NumAromaticRings: 1

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O