Glycoside
...
GD124141

Name:
12-[7-(3-amino-3-hydroxypropyl)-3-(hydroxymethyl)-7-(1H-imidazol-4-yl)-2-oxo-2,3,3a,4,7,7a-hexahydro-1H-indol-4-yl]-6-ethyl-11-hydroxy-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:
C52H80O13N4

Smiles:
CCC1CC2(C(=O)O)CCC(C)(CO)CC2C2=CCC3C4(C)C(C5C=CC(CCC(N)O)(c6cnc[nH]6)C6N=C(O)C(CO)C56)C(O)C(OC5OCC(O)C(O)C5O)C(C)(CO)C4CCC3(C)C21C

Aglycone:
CCC1CC2(C(=O)O)CCC(C)(CO)CC2C2=CCC3C4(C)C(C5C=CC(CCC(N)O)(c6cnc[nH]6)C6N=C(O)C(CO)C56)C(O)C(O)C(C)(CO)C4CCC3(C)C21C

Sugarmoiety:
OC1COC(O)C(O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 9
HBD: 13 FractionCSP3: 0.83
AlogP: 2.94 Num_rotatable_bonds: 12
MolWt: 969.23 Num_heavy_atoms: 69
TPSA: 304.89 NumAromaticRings: 1

Unique Aglycone
AD50128
Formula: C47H72O9N4

Smiles:
CCC1CC2(C(=O)O)CCC(C)(CO)CC2C2=CCC3C4(C)C(C5C=CC(CCC(N)O)(c6cnc[nH]6)C6N=C(O)C(CO)C56)C(O)C(O)C(C)(CO)C4CCC3(C)C21C
HBA: 13 RingCount: 8
HBD: 11 FractionCSP3: 0.81
AlogP: 4.48 Num_rotatable_bonds: 10
MolWt: 837.11 Num_heavy_atoms: 60
TPSA: 245.97 NumAromaticRings: 1

Sugarmoiety
SD00050

OC1COC(O)C(O)C1O