Glycoside
...
GD116456

Name:
6-hydroxy-4,19-bis(hydroxymethyl)-2,4,12,19-tetramethyl-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]-9-azaheptacyclo[11.11.3.0¹,¹².0²,⁷.0³,¹⁰.0¹³,²².0¹⁶,²¹]heptacos-22-ene-16-carboxylic acid

Formula:
C38H59O10N

Smiles:
CC1(CO)CCC2(C(=O)O)CCC34CCCC5(CC=C3C2C1)C1(C)C2CNC(CC45C)C1C(C)(CO)C(OC1OCC(O)C(O)C1O)C2O

Aglycone:
CC1(CO)CCC2(C(=O)O)CCC34CCCC5(CC=C3C2C1)C1(C)C2CNC(CC45C)C1C(C)(CO)C(O)C2O

Sugarmoiety:
OC1COC(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 8
HBD: 8 FractionCSP3: 0.92
AlogP: 1.95 Num_rotatable_bonds: 5
MolWt: 689.89 Num_heavy_atoms: 49
TPSA: 189.17 NumAromaticRings: 0

Unique Aglycone
AD46246
Formula: C33H51O6N

Smiles:
CC1(CO)CCC2(C(=O)O)CCC34CCCC5(CC=C3C2C1)C1(C)C2CNC(CC45C)C1C(C)(CO)C(O)C2O
HBA: 7 RingCount: 7
HBD: 6 FractionCSP3: 0.91
AlogP: 3.49 Num_rotatable_bonds: 3
MolWt: 557.77 Num_heavy_atoms: 40
TPSA: 130.25 NumAromaticRings: 0

Sugarmoiety
SD00050

OC1COC(O)C(O)C1O