Glycoside
...
GD153990

Name:
Trigonotin B

Formula:
C34H38O18

Smiles:
COc1cc(C2c3cc(O)c(OC)cc3C=C3C(=O)OCC4OC(CO)(OC5OC(COC(C)=O)C(O)C(O)C5O)C(OC(=O)C32)C4O)ccc1O

Aglycone:
COC(C)=O.COc1cc(C2c3cc(O)c(OC)cc3C=C3C(=O)OCC4OC(O)(CO)C(OC(=O)C32)C4O)ccc1O

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

Other Identifiers

Properties
HBA: 18 RingCount: 6
HBD: 7 FractionCSP3: 0.5
AlogP: -1.44 Num_rotatable_bonds: 8
MolWt: 734.66 Num_heavy_atoms: 52
TPSA: 266.66 NumAromaticRings: 2

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD61200
Formula: C26H26O12

Smiles:
COc1cc(C2c3cc(O)c(OC)cc3C=C3C(=O)OCC4OC(O)(CO)C(OC(=O)C32)C4O)ccc1O
HBA: 12 RingCount: 5
HBD: 5 FractionCSP3: 0.38
AlogP: 0.17 Num_rotatable_bonds: 4
MolWt: 530.48 Num_heavy_atoms: 38
TPSA: 181.44 NumAromaticRings: 2

Sugarmoiety
SD00017

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