Glycoside
...
GD153554

Name:
2′-O-Succinyl-Apoptolidin A

Formula:
C62H100O24

Smiles:
COCC(CC1OC(O)(C(O)C2CC(OC)C(O)CCC=C(C)C=CC(OC3OC(C)C(OC)C(O)C3OC(=O)CCC(=O)O)C(C)C=C(C)C=C(C)C=C(C)C(=O)O2)C(C)C(O)C1C)OC1CC(C)(O)C(OC2CC(OC)C(O)C(C)O2)C(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.O=C(O)CCC(=O)O

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

Other Identifiers

Properties
HBA: 24 RingCount: 5
HBD: 8 FractionCSP3: 0.79
AlogP: 4.0 Num_rotatable_bonds: 19
MolWt: 1229.46 Num_heavy_atoms: 86
TPSA: 333.04 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
AD05635
Formula: C4H6O4

Smiles:
O=C(O)CCC(=O)O
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 0.5
AlogP: -0.06 Num_rotatable_bonds: 3
MolWt: 118.09 Num_heavy_atoms: 8
TPSA: 74.6 NumAromaticRings: 0

Sugarmoiety
SD00590

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