Glycoside
...
GD025101

Name:
None

Formula:
C69H68O25

Smiles:
CC(=O)OC[C@@H]1O[C@@H](Oc2c(-c3cc(OCc4ccccc4)c(OCc4ccccc4)c(OCc4ccccc4)c3)oc3cc(OCc4ccccc4)cc(O)c3c2=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1O[C@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.COC(C)=O.O=c1c(O)c(-c2cc(OCc3ccccc3)c(OCc3ccccc3)c(OCc3ccccc3)c2)oc2cc(OCc3ccccc3)cc(O)c12

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC2OC(O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 25 RingCount: 9
HBD: 1 FractionCSP3: 0.33
AlogP: 8.48 Num_rotatable_bonds: 26
MolWt: 1297.28 Num_heavy_atoms: 94
TPSA: 308.38 NumAromaticRings: 7

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
AD16683
Formula: C43H34O8

Smiles:
O=c1c(O)c(-c2cc(OCc3ccccc3)c(OCc3ccccc3)c(OCc3ccccc3)c2)oc2cc(OCc3ccccc3)cc(O)c12
HBA: 8 RingCount: 7
HBD: 2 FractionCSP3: 0.09
AlogP: 9.19 Num_rotatable_bonds: 13
MolWt: 678.74 Num_heavy_atoms: 51
TPSA: 107.59 NumAromaticRings: 7

Sugarmoiety
SD00271

CC(=O)OC1C(O)OC(O)C(OC2OC(O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C1OC(C)=O