Glycoside
...
GD034067

Name:
Apoptolidin

Formula:
C58H96O21

Smiles:
COC[C@H](C[C@@H]1O[C@](O)([C@H](O)[C@@H]2C[C@H](OC)[C@H](O)CCC=C(C)C=C[C@H](O[C@@H]3O[C@H](C)[C@H](OC)[C@H](O)[C@H]3O)[C@H](C)C=C(C)C=C(C)C=C(C)C(=O)O2)[C@H](C)[C@H](O)[C@H]1C)O[C@@H]1C[C@@](C)(O)[C@H](O[C@@H]2C[C@H](OC)[C@H](O)[C@H](C)O2)[C@H](C)O1

Aglycone:
COCC(O)CC1OC(O)(C(O)C2CC(OC)C(O)CCC=C(C)C=CC(O)C(C)C=C(C)C=C(C)C=C(C)C(=O)O2)C(C)C(O)C1C

Sugarmoiety:
COC1C(C)OC(O)C(O)C1O.COC1CC(OC2C(C)OC(O)CC2(C)O)OC(C)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 5
HBD: 8 FractionCSP3: 0.81
AlogP: 3.59 Num_rotatable_bonds: 15
MolWt: 1129.38 Num_heavy_atoms: 79
TPSA: 289.67 NumAromaticRings: 0

Unique Aglycone
AD02453
Formula: C37H60O11

Smiles:
COCC(O)CC1OC(O)(C(O)C2CC(OC)C(O)CCC=C(C)C=CC(O)C(C)C=C(C)C=C(C)C=C(C)C(=O)O2)C(C)C(O)C1C
HBA: 11 RingCount: 2
HBD: 6 FractionCSP3: 0.7
AlogP: 3.28 Num_rotatable_bonds: 7
MolWt: 680.88 Num_heavy_atoms: 48
TPSA: 175.37 NumAromaticRings: 0

Sugarmoiety
SD00590

COC1C(C)OC(O)C(O)C1O.COC1CC(OC2C(C)OC(O)CC2(C)O)OC(C)C1O