Glycoside
...
GD139206

Name:
Pm100118

Formula:
C82H130O28

Smiles:
CCC(OC1CC(C)(O)C(OC2CCC(OC(=O)C(C)C(OC3CCC(O)C(C)O3)c3ccc4c(c3)C(=O)C=C(C)C4=O)C(C)O2)C(C)O1)C(C)C(O)C(C)C(O)C(C)C1OC(=O)C=CCC(O)CC(O)CCCC(O)CCC(C)C(O)C(=O)C2(O)CC(O)CC(CC(O)CC(O)CC(O)CCCC(O)C=CC1C)O2

Aglycone:
CC1=CC(=O)c2cc(C(OC3CCC(O)C(C)O3)C(C)C(=O)OC3CCC(O)OC3C)ccc2C1=O.CCC(O)C(C)C(O)C(C)C(O)C(C)C1OC(=O)C=CCC(O)CC(O)CCCC(O)CCC(C)C(O)C(=O)C2(O)CC(O)CC(CC(O)CC(O)CC(O)CCCC(O)C=CC1C)O2

Sugarmoiety:
CC1OC(O)CC(C)(O)C1O

Other Identifiers

Properties
HBA: 28 RingCount: 7
HBD: 14 FractionCSP3: 0.79
AlogP: 5.79 Num_rotatable_bonds: 17
MolWt: 1563.91 Num_heavy_atoms: 110
TPSA: 451.64 NumAromaticRings: 1

Unique Aglycone
AD56129
Formula: C27H34O9

Smiles:
CC1=CC(=O)c2cc(C(OC3CCC(O)C(C)O3)C(C)C(=O)OC3CCC(O)OC3C)ccc2C1=O
HBA: 9 RingCount: 4
HBD: 2 FractionCSP3: 0.59
AlogP: 3.02 Num_rotatable_bonds: 6
MolWt: 502.56 Num_heavy_atoms: 36
TPSA: 128.59 NumAromaticRings: 1
AD56130
Formula: C48H86O17

Smiles:
CCC(O)C(C)C(O)C(C)C(O)C(C)C1OC(=O)C=CCC(O)CC(O)CCCC(O)CCC(C)C(O)C(=O)C2(O)CC(O)CC(CC(O)CC(O)CC(O)CCCC(O)C=CC1C)O2
HBA: 17 RingCount: 2
HBD: 13 FractionCSP3: 0.88
AlogP: 1.45 Num_rotatable_bonds: 7
MolWt: 935.2 Num_heavy_atoms: 65
TPSA: 315.59 NumAromaticRings: 0

Sugarmoiety
SD00693

CC1OC(O)CC(C)(O)C1O