Glycoside
...
GD148860

Name:
methyl 6-{[8a-(methoxycarbonyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylate

Formula:
C49H78O18

Smiles:
COC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)OC)CCC34C)C2(C)C)C(OC2OCC(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C1O

Aglycone:
COC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)CC2

Sugarmoiety:
COC(=O)C1OC(O)C(OC2OCC(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 8
HBD: 8 FractionCSP3: 0.92
AlogP: 1.61 Num_rotatable_bonds: 9
MolWt: 955.15 Num_heavy_atoms: 67
TPSA: 269.82 NumAromaticRings: 0

Unique Aglycone
AD03137
Formula: C31H50O3

Smiles:
COC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)CC2
HBA: 3 RingCount: 5
HBD: 1 FractionCSP3: 0.9
AlogP: 7.32 Num_rotatable_bonds: 1
MolWt: 470.74 Num_heavy_atoms: 34
TPSA: 46.53 NumAromaticRings: 0

Sugarmoiety
SD09599

COC(=O)C1OC(O)C(OC2OCC(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C1O