Glycoside
...
GD138687

Name:
[3,4,5-tris(acetyloxy)-6-{[17-(acetyloxy)-19-[3-(acetyloxy)-2-methyl-4-oxopentan-3-yl]-10,14-dimethyl-18,21-dioxahexacyclo[12.9.0.0²,¹¹.0⁵,¹⁰.0¹⁵,²².0¹⁶,²⁰]tricosa-1(23),2(11)-dien-7-yl]oxy}oxan-2-yl]methyl acetate

Formula:
C47H64O17

Smiles:
CC(=O)OCC1OC(OC2CCC3(C)C4=C(CCC3C2)C2=CC3OC5C(C(OC(C)=O)OC5C(OC(C)=O)(C(C)=O)C(C)C)C3C2(C)CC4)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:
CC(=O)OC1OC(C(OC(C)=O)(C(C)=O)C(C)C)C2OC3C=C4C5=C(CCC4(C)C3C12)C1(C)CCC(O)CC1CC5.COC(C)=O

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

Other Identifiers

Properties
HBA: 17 RingCount: 7
HBD: 0 FractionCSP3: 0.77
AlogP: 4.93 Num_rotatable_bonds: 12
MolWt: 901.01 Num_heavy_atoms: 64
TPSA: 211.79 NumAromaticRings: 0

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
AD55956
Formula: C33H46O8

Smiles:
CC(=O)OC1OC(C(OC(C)=O)(C(C)=O)C(C)C)C2OC3C=C4C5=C(CCC4(C)C3C12)C1(C)CCC(O)CC1CC5
HBA: 8 RingCount: 6
HBD: 1 FractionCSP3: 0.79
AlogP: 4.82 Num_rotatable_bonds: 5
MolWt: 570.72 Num_heavy_atoms: 41
TPSA: 108.36 NumAromaticRings: 0

Sugarmoiety
SD00012

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