Glycoside
...
GD138124

Name:
hydroxy(3,4,5,6-tetrahydroxyoxan-2-yl)methyl 16-(acetyloxy)-2-[(acetyloxy)methyl]-10-hydroxy-9,13,17-trimethyl-7-(4-methyl-2-oxopent-3-en-1-yl)-6-oxo-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-1(20)-ene-17-carboxylate

Formula:
C40H56O16

Smiles:
CC(=O)OCC12CC3OC(=O)C(CC(=O)C=C(C)C)C3C1(C)C(O)CC1C2=CCC2C1(C)CCC(OC(C)=O)C2(C)C(=O)OC(O)C1OC(O)C(O)C(O)C1O

Aglycone:
CC(=O)OCC12CC3OC(=O)C(CC(=O)C=C(C)C)C3C1(C)C(O)CC1C2=CCC2C1(C)CCC(OC(C)=O)C2(C)C(=O)OCO

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 6
HBD: 6 FractionCSP3: 0.78
AlogP: 0.76 Num_rotatable_bonds: 9
MolWt: 792.87 Num_heavy_atoms: 56
TPSA: 252.88 NumAromaticRings: 0

Unique Aglycone
AD55774
Formula: C35H48O11

Smiles:
CC(=O)OCC12CC3OC(=O)C(CC(=O)C=C(C)C)C3C1(C)C(O)CC1C2=CCC2C1(C)CCC(OC(C)=O)C2(C)C(=O)OCO
HBA: 11 RingCount: 5
HBD: 2 FractionCSP3: 0.74
AlogP: 3.59 Num_rotatable_bonds: 8
MolWt: 644.76 Num_heavy_atoms: 46
TPSA: 162.73 NumAromaticRings: 0

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O