Glycoside
...
GD147230

Name:
23-{7'-[3-amino-2-({[2-(ethylamino)ethyl]amino}methyl)-1,3-dihydroxypropyl]-7'-(1H-imidazol-4-yl)-2'-oxo-1',2',3'a,4',7',7'a-hexahydrospiro[cyclopentane-1,3'-indol]-4'-yl}-24-hydroxy-15,26-bis(hydroxymethyl)-1,15,22,26,30-pentamethyl-25-[(3,4,5-trihydroxyoxan-2-yl)oxy]-5,7,9-triazaheptacyclo[16.12.0.0²,¹¹.0⁴,⁸.0¹²,¹⁷.0²¹,³⁰.0²²,²⁷]triaconta-4(8),6,18-triene-12-carboxylic acid

Formula:
C63H97O13N9

Smiles:
CCNCCNCC(C(N)O)C(O)C1(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)C6CNc7[nH]cnc7CC6C54C)C23C)C2C1N=C(O)C21CCCC1

Aglycone:
CCNCCNCC(C(N)O)C(O)C1(c2cnc[nH]2)C=CC(C2C(O)C(O)C(C)(CO)C3CCC4(C)C(CC=C5C6CC(C)(CO)CCC6(C(=O)O)C6CNc7[nH]cnc7CC6C54C)C23C)C2C1N=C(O)C21CCCC1

Sugarmoiety:
OC1COC(O)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 12
HBD: 17 FractionCSP3: 0.81
AlogP: 2.5 Num_rotatable_bonds: 16
MolWt: 1188.52 Num_heavy_atoms: 85
TPSA: 369.66 NumAromaticRings: 2

Unique Aglycone
AD58972
Formula: C58H89O9N9

Smiles:
CCNCCNCC(C(N)O)C(O)C1(c2cnc[nH]2)C=CC(C2C(O)C(O)C(C)(CO)C3CCC4(C)C(CC=C5C6CC(C)(CO)CCC6(C(=O)O)C6CNc7[nH]cnc7CC6C54C)C23C)C2C1N=C(O)C21CCCC1
HBA: 18 RingCount: 11
HBD: 15 FractionCSP3: 0.79
AlogP: 4.03 Num_rotatable_bonds: 14
MolWt: 1056.4 Num_heavy_atoms: 76
TPSA: 310.74 NumAromaticRings: 2

Sugarmoiety
SD00050

OC1COC(O)C(O)C1O