Glycoside
...
GD148571

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

Formula:
C48H76O18

Smiles:
COC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3C(=O)C=C3C5CC(C)(C)CC(O)C5(C)CCC34C)C2(C)CO)C(OC2OCC(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C1O

Aglycone:
CC1(C)CC(O)C2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1

Sugarmoiety:
COC(=O)C1OC(O)C(OC2OCC(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 8
HBD: 9 FractionCSP3: 0.92
AlogP: 0.61 Num_rotatable_bonds: 8
MolWt: 941.12 Num_heavy_atoms: 66
TPSA: 280.82 NumAromaticRings: 0

Unique Aglycone
AD45570
Formula: C30H48O4

Smiles:
CC1(C)CC(O)C2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1
HBA: 4 RingCount: 5
HBD: 3 FractionCSP3: 0.9
AlogP: 5.29 Num_rotatable_bonds: 1
MolWt: 472.71 Num_heavy_atoms: 34
TPSA: 77.76 NumAromaticRings: 0

Sugarmoiety
SD00894

COC(=O)C1OC(O)C(OC2OCC(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C1O