Glycoside
...
GD003322

Name:
methyl 4a,7-dihydroxy-7-methyl-6-[(3-phenylprop-2-enoyl)oxy]-1-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylate

Formula:
C34H40O17

Smiles:
COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@@H]2[C@@]1(O)C[C@H](OC(=O)C=Cc1ccccc1)[C@]2(C)O

Aglycone:
COC(=O)C1=COC(O)C2C1(O)CC(OC(=O)C=Cc1ccccc1)C2(C)O.COC(C)=O

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

Other Identifiers

Properties
HBA: 17 RingCount: 4
HBD: 2 FractionCSP3: 0.53
AlogP: 0.63 Num_rotatable_bonds: 11
MolWt: 720.68 Num_heavy_atoms: 51
TPSA: 225.95 NumAromaticRings: 1

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
AD03027
Formula: C20H22O8

Smiles:
COC(=O)C1=COC(O)C2C1(O)CC(OC(=O)C=Cc1ccccc1)C2(C)O
HBA: 8 RingCount: 3
HBD: 3 FractionCSP3: 0.4
AlogP: 0.52 Num_rotatable_bonds: 4
MolWt: 390.39 Num_heavy_atoms: 28
TPSA: 122.52 NumAromaticRings: 1

Sugarmoiety
SD00012

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