Glycoside
...
GD141179

Name:
11-hydroxy-12-{[4-(2-hydroxyethyl)-2-[4-(1H-imidazol-4-yl)piperidin-4-yl]-5-oxopyrrolidin-3-yl]methyl}-2,9-bis(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-10-[(3,4,5-trihydroxyoxan-2-yl)oxy]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid

Formula:
C50H78O12N4

Smiles:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)C(CC6C(CCO)C(O)=NC6C6(c7cnc[nH]7)CCNCC6)C(O)C(OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1

Aglycone:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)C(CC6C(CCO)C(O)=NC6C6(c7cnc[nH]7)CCNCC6)C(O)C(O)C(C)(CO)C5CCC43C)C2C1

Sugarmoiety:
OC1COC(O)C(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 9
HBD: 11 FractionCSP3: 0.86
AlogP: 3.23 Num_rotatable_bonds: 11
MolWt: 927.19 Num_heavy_atoms: 66
TPSA: 270.67 NumAromaticRings: 1

Unique Aglycone
AD56895
Formula: C45H70O8N4

Smiles:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)C(CC6C(CCO)C(O)=NC6C6(c7cnc[nH]7)CCNCC6)C(O)C(O)C(C)(CO)C5CCC43C)C2C1
HBA: 12 RingCount: 8
HBD: 9 FractionCSP3: 0.84
AlogP: 4.76 Num_rotatable_bonds: 9
MolWt: 795.07 Num_heavy_atoms: 57
TPSA: 211.75 NumAromaticRings: 1

Sugarmoiety
SD00050

OC1COC(O)C(O)C1O