Glycoside
...
GD145321

Name:
(6-{[7-(acetyloxy)-2,6,6,10-tetramethyl-15-(4,5,6-trihydroxy-6-methylheptan-2-yl)pentacyclo[12.3.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰]octadecan-3-yl]oxy}-4,4,5-trihydroxyoxan-2-yl)methyl acetate

Formula:
C40H66O12

Smiles:
CC(=O)OCC1CC(O)(O)C(O)C(OC2CC3C(C)(C)C(OC(C)=O)CCC3(C)C3CCC45CC4(CCC5C(C)CC(O)C(O)C(C)(C)O)C23C)O1

Aglycone:
CC(=O)OC1CCC2(C)C(CC(O)C3(C)C2CCC24CC23CCC4C(C)CC(O)C(O)C(C)(C)O)C1(C)C.COC(C)=O

Sugarmoiety:
OC1CC(O)(O)C(O)C(O)O1

Other Identifiers

Properties
HBA: 12 RingCount: 6
HBD: 6 FractionCSP3: 0.95
AlogP: 3.59 Num_rotatable_bonds: 10
MolWt: 738.96 Num_heavy_atoms: 52
TPSA: 192.44 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
AD02508
Formula: C32H54O6

Smiles:
CC(=O)OC1CCC2(C)C(CC(O)C3(C)C2CCC24CC23CCC4C(C)CC(O)C(O)C(C)(C)O)C1(C)C
HBA: 6 RingCount: 5
HBD: 4 FractionCSP3: 0.97
AlogP: 4.85 Num_rotatable_bonds: 6
MolWt: 534.78 Num_heavy_atoms: 38
TPSA: 107.22 NumAromaticRings: 0

Sugarmoiety
SD05188

OC1CC(O)(O)C(O)C(O)O1