Glycoside
...
GD127508

Name:
23-{2-[4-amino-1-(1H-imidazol-4-yl)butyl]-4-(hydroxymethyl)-5-oxopyrrolidin-3-yl}-21-hydroxy-10,19-bis(hydroxymethyl)-10,17,19-trimethyl-20-[(3,4,5-trihydroxyoxan-2-yl)oxy]heptacyclo[16.10.2.0¹,¹⁶.0⁵,²⁸.0⁷,¹².0¹³,²⁸.0¹⁷,²²]triacont-13-en-24-yne-7-carboxylic acid

Formula:
C53H78O12N4

Smiles:
CC1(CO)CCC2(C(=O)O)CC3CCCC45CCC6C(C)(CO)C(OC7OCC(O)C(O)C7O)C(O)C7C(C8C(CO)C(O)=NC8C(CCCN)c8cnc[nH]8)C#CCCC34C(=CCC5C76C)C2C1

Aglycone:
CC1(CO)CCC2(C(=O)O)CC3CCCC45CCC6C(C)(CO)C(O)C(O)C7C(C8C(CO)C(O)=NC8C(CCCN)c8cnc[nH]8)C#CCCC34C(=CCC5C76C)C2C1

Sugarmoiety:
OC1COC(O)C(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 10
HBD: 12 FractionCSP3: 0.83
AlogP: 3.43 Num_rotatable_bonds: 12
MolWt: 963.22 Num_heavy_atoms: 69
TPSA: 284.66 NumAromaticRings: 1

Unique Aglycone
AD51636
Formula: C48H70O8N4

Smiles:
CC1(CO)CCC2(C(=O)O)CC3CCCC45CCC6C(C)(CO)C(O)C(O)C7C(C8C(CO)C(O)=NC8C(CCCN)c8cnc[nH]8)C#CCCC34C(=CCC5C76C)C2C1
HBA: 12 RingCount: 9
HBD: 10 FractionCSP3: 0.81
AlogP: 4.97 Num_rotatable_bonds: 10
MolWt: 831.11 Num_heavy_atoms: 60
TPSA: 225.74 NumAromaticRings: 1

Sugarmoiety
SD00050

OC1COC(O)C(O)C1O