Glycoside
...
GD152465

Name:
11-(benzyloxy)-4-hydroxy-2,9-bis(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-12-[(5-oxopyrrolidin-3-yl)methyl]-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:
C47H69O12N

Smiles:
CC1(CO)CC(O)C2(C(=O)O)CCC3(C)C(=CCC4C5(C)C(CC6CN=C(O)C6)C(OCc6ccccc6)C(OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1

Aglycone:
CC1(CO)CC(O)C2(C(=O)O)CCC3(C)C(=CCC4C5(C)C(CC6CN=C(O)C6)C(OCc6ccccc6)C(O)C(C)(CO)C5CCC43C)C2C1

Sugarmoiety:
OC1COC(O)C(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 8
HBD: 8 FractionCSP3: 0.79
AlogP: 4.4 Num_rotatable_bonds: 10
MolWt: 840.06 Num_heavy_atoms: 60
TPSA: 218.96 NumAromaticRings: 1

Unique Aglycone
AD60704
Formula: C42H61O8N

Smiles:
CC1(CO)CC(O)C2(C(=O)O)CCC3(C)C(=CCC4C5(C)C(CC6CN=C(O)C6)C(OCc6ccccc6)C(O)C(C)(CO)C5CCC43C)C2C1
HBA: 9 RingCount: 7
HBD: 6 FractionCSP3: 0.76
AlogP: 5.94 Num_rotatable_bonds: 8
MolWt: 707.95 Num_heavy_atoms: 51
TPSA: 160.04 NumAromaticRings: 1

Sugarmoiety
SD00050

OC1COC(O)C(O)C1O