Glycoside
...
GD117747

Name:
4-methyl 8a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 11-[(acetyloxy)methyl]-3-hydroxy-4,6a,6b,11,14b-pentamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4,8a-dicarboxylate

Formula:
C39H60O12

Smiles:
COC(=O)C1(C)C(O)CCC2(C)C1CCC1(C)C2CC=C2C3CC(C)(COC(C)=O)CCC3(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC21C

Aglycone:
COC(=O)C1(C)C(O)CCC2(C)C1CCC1(C)C2CC=C2C3CC(C)(COC(C)=O)CCC3(C(=O)O)CCC21C

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 6
HBD: 5 FractionCSP3: 0.87
AlogP: 3.19 Num_rotatable_bonds: 6
MolWt: 720.9 Num_heavy_atoms: 51
TPSA: 189.28 NumAromaticRings: 0

Unique Aglycone
AD46986
Formula: C33H50O7

Smiles:
COC(=O)C1(C)C(O)CCC2(C)C1CCC1(C)C2CC=C2C3CC(C)(COC(C)=O)CCC3(C(=O)O)CCC21C
HBA: 7 RingCount: 5
HBD: 2 FractionCSP3: 0.85
AlogP: 5.93 Num_rotatable_bonds: 4
MolWt: 558.76 Num_heavy_atoms: 40
TPSA: 110.13 NumAromaticRings: 0

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O