Glycoside
...
GD156600

Name:
12-(7'-{3-amino-3-hydroxy-2-[(methylamino)methyl]propyl}-7'-(1H-imidazol-4-yl)-2'-oxo-1',2',3'a,4',7',7'a-hexahydrospiro[cyclopentane-1,3'-indol]-4'-yl)-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:
C55H85O12N5

Smiles:
CNCC(CC1(c2cnc[nH]2)C=CC(C2C(O)C(OC3OCC(O)C(O)C3O)C(C)(CO)C3CCC4(C)C(CC=C5C6CC(C)(CO)CCC6(C(=O)O)CCC54C)C23C)C2C1N=C(O)C21CCCC1)C(N)O

Aglycone:
CNCC(CC1(c2cnc[nH]2)C=CC(C2C(O)C(O)C(C)(CO)C3CCC4(C)C(CC=C5C6CC(C)(CO)CCC6(C(=O)O)CCC54C)C23C)C2C1N=C(O)C21CCCC1)C(N)O

Sugarmoiety:
OC1COC(O)C(O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 10
HBD: 13 FractionCSP3: 0.84
AlogP: 3.7 Num_rotatable_bonds: 12
MolWt: 1008.31 Num_heavy_atoms: 72
TPSA: 296.69 NumAromaticRings: 1

Unique Aglycone
AD61989
Formula: C50H77O8N5

Smiles:
CNCC(CC1(c2cnc[nH]2)C=CC(C2C(O)C(O)C(C)(CO)C3CCC4(C)C(CC=C5C6CC(C)(CO)CCC6(C(=O)O)CCC54C)C23C)C2C1N=C(O)C21CCCC1)C(N)O
HBA: 13 RingCount: 9
HBD: 11 FractionCSP3: 0.82
AlogP: 5.24 Num_rotatable_bonds: 10
MolWt: 876.19 Num_heavy_atoms: 63
TPSA: 237.77 NumAromaticRings: 1

Sugarmoiety
SD00050

OC1COC(O)C(O)C1O