Glycoside
...
GD148699

Name:
3-[(4-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3,5-dihydroxyoxan-2-yl)oxy]-4-hydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl 10-({6-[({3,5-dihydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)methyl]-3-acetamido-4-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl}oxy)-5-hydroxy-1,1,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate

Formula:
C75H121O39N

Smiles:
CC(O)=NC1C(OC2CCC3(C)C(CCC4(C)C3CC=C3C5C(C)(C)CCCC5(C(=O)OC5OC(CO)C(OC6OCC(O)C(O)C6O)C(O)C5OC5OCC(O)C(OC6OC(CO)C(O)C6O)C5O)C(O)CC34C)C2(C)C)OC(COC2OCC(O)C(OC3OCC(O)C(O)C3O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C1O

Aglycone:
CC1(C)CCCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12

Sugarmoiety:
CC(O)=NC1C(O)OC(COC2OCC(O)C(OC3OCC(O)C(O)C3O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C1O.OCC1OC(OC2C(O)COC(OC3C(O)OC(CO)C(OC4OCC(O)C(O)C4O)C3O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 40 RingCount: 13
HBD: 22 FractionCSP3: 0.95
AlogP: -7.59 Num_rotatable_bonds: 21
MolWt: 1660.76 Num_heavy_atoms: 115
TPSA: 622.17 NumAromaticRings: 0

Unique Aglycone
AD45228
Formula: C30H48O4

Smiles:
CC1(C)CCCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12
HBA: 4 RingCount: 5
HBD: 3 FractionCSP3: 0.9
AlogP: 6.2 Num_rotatable_bonds: 1
MolWt: 472.71 Num_heavy_atoms: 34
TPSA: 77.76 NumAromaticRings: 0

Sugarmoiety
SD09581

CC(O)=NC1C(O)OC(COC2OCC(O)C(OC3OCC(O)C(O)C3O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C1O.OCC1OC(OC2C(O)COC(OC3C(O)OC(CO)C(OC4OCC(O)C(O)C4O)C3O)C2O)C(O)C1O